[gmx-users] How to calculate local pressure by using virial

张正财 zhangzhengc at mail.iggcas.ac.cn
Tue Jan 20 11:22:59 CET 2015



Dear All,
        I want to calculate local pressure in the simulation system by using the force, velocity, and coordinates from  GROMACS output *.trr file
   Can anyone give me a brief description how I can do it?
      Best,
     zhengcai








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