[gmx-users] To calculate temperture in a specific region

Krishna Mohan Gupta chekmg at nus.edu.sg
Tue Sep 22 08:03:01 CEST 2015

Dear Gromacs users,

I need to calculate temperature of molecules in a particular region after equilibration run (NVT or NPT) but during simulation molecules will exchange from one region to another.

Can anyone have any suggestion in this regards ?



Important: This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately; you should not copy or use it for any purpose, nor disclose its contents to any other person. Thank you.

More information about the gromacs.org_gmx-users mailing list