[AMBER] Constant pH MD simulation of non-protein systems

From: MADHUSMITA DEVI via AMBER <amber.ambermd.org>
Date: Tue, 7 Mar 2023 18:33:07 +0000

Dear Amber Users,

I have a non-protein system consisting of titratable groups, -OH and -NR2. I wished to know if CpHMD simulation is possible for such groups in non-protein systems. If yes, kindly guide me through it or provide any suitable tutorial for the same.

Thank you in advance.

 Madhusmita Devi
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Received on Tue Mar 07 2023 - 11:00:02 PST