[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?

More information about the gromacs.org_gmx-users mailing list