1. About CURP

1.1. What is CURP for?

CURrent calculation for Proteins (CURP) permits to compute energy/heat currents and atomic stress tensors in a protein, given atomic coordinates and velocity trajectories obtained through molecular dynamics (MD).

1.2. Flow diagram of CURP calculations

The CURP program is designed for the analysis of (1) energy/heat current during vibrational energy relaxation and (2) atomic stress tensors or the flow of linear momenta in the thermally fluctuating protein media. The flowchart of the CURP calculation procedure is shown below.


1.3. License

        CURrent calculation for Proteins (CURP)
                   version 1.3
              Release date: Oct 1, 2021.

COPYRIGHT Ⓒ 2012, 2013, 2014, 2015-2017, 2018-2021.
Yamato Laboratory, Nagoya University. All rights reserved.

URL: https://www.curp.jp
Contact email: yamato@nagoya-u.jp

  version 1.3
    Takahisa Yamato, Olivier LAPRÉVOTE, Wataru SUGIURA,
    Tingting WANG
  version 1.2
    Takahisa YAMATO, Genki KUBOTA, Olivier LAPRÉVOTE
  version 1.1
    Takahisa YAMATO, Takakazu ISHIKURA, Kunitaka OTA, 
    Tatsuya SAKAI
  version 1.0
    Takahisa YAMATO, Takakazu ISHIKURA, Yuki IWATA
  version 0.1 
    Takahisa YAMATO, Tatsuro HATANO, Takakazu ISHIKURA

 Yamato Laboratory, Nagoya University (hereinafter referred  to
as "Yamato Lab") has developed the computational tool  for  the
analysis of the following physical properties of proteins:  (1) 
the atomic stress tensor and (2) the vibrational  energy  flow.
 The computational tool  is  referred  to  as  "CURP"  (CURrent 
calculation for Proteins), which includes the set  of  programs
and the manuals. CURP is provided to a person who shall  comply
with the following Terms and Conditions ("Person" here  can  be 
an  individual,  an  institution  or  a corporation   and    is 
hereinafter referred to as the "user".).

 The use of (A) CURP, (B) copied or modified CURP and (C)  CURP
incorporated into another software by the user is permitted for
the user's own purposes. If the user wishes to use CURP  for  a 
third party, the  user  should  contact Yamato Lab directly  in

 The user must indicate that CURP was  used  in  the  following

(1) when the user publishes a result obtained by using (A) CURP
(B) copied or modified CURP or (C)  software incorporating CURP
(2) when the user publishes a modified part of CURP.

CURP is provided as is, and Yamato  Lab  does  not  warrant  or
guarantee the quality, performance, or any outcomes obtained by
running CURP for the  user.  The  user  agrees  that  the  user  
downloads, saves or uses CURP on user's own responsibility  and
if any problem occurs through downloading, saving or using CURP,
the user  shall  be responsible for all consequences, including
compensation to any third party.

 If the user breaches the Terms and Conditions, CURP (including
copied or modified CURP) must be uninstalled  from  the  user's

1.4. Citation

Please cite the following references when you use the CURP program. (1) The most recent version of the CURP program (v.1.3) T. Yamato et al. “Computational study on the thermal conductivity of a protein” (to be submitted)

  1. The main citation of the CURP program

T.Ishikura, Y.Iwata, T.Hatano and T.Yamato, “Energy exchange network of inter-residue interactions within a thermally fluctuating protein molecule: A computational study” J. Comput. Chem. 36:1709-1718 (2015).

  1. Atomic stress tensor analysis

T.Ishikura, T.Hatano and T.Yamato, “Atomic stress tensor analysis of proteins”, Chem. Phys. Lett. 539:144-150 (2012).

  1. Energy flow analysis of proteins

T.Yamato, “Energy flow pathways in photoactive yellow proteins”, in Proteins: energy, heat, and signal flow, eds. D.M. Leitner & J.E. Straub, pp. 129-147, (2009), Taylor and Francis.

T.Ishikura and T.Yamato, “Energy transfer pathways relevant for long-range intramolecular signaling of photosensory protein revealed by microscopic energy conductivity”, Chem. Phys. Lett. 432:533-537, (2006).

D.Leitner and T. Yamato, “Mapping energy transport networks in proteins” Rev. Comput. Chem. 31: 63-113 (2018).