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

[Krishna Mohan Gupta]

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 ?
Thanks.

Krishna


________________________________

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.