[gmx-users] Why Position Restraint on Protein in NVT?

Arman M. Soufiani armansoufiani at gmail.com
Thu Oct 18 18:32:04 CEST 2012

Dear all friends,

I wonder why we should impose POSRES on the protein in the system while
running NVT?! Shall we do so even for the system containing a short
What if I let the peptide, SOL+ions and my system's synthetic polymer apply
T-coupling individually?

I would be greatly thankful for your helps in advance.

Best Regards


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