[AMBER] CHAMBER prmtops cannot be used with NMODE

From: 周丽萍 <s19-zhouliping.simm.ac.cn>
Date: Tue, 14 Dec 2021 15:01:24 +0800 (GMT+08:00)

When I ran NMODE entropy calculation in MMPBSA.py for a CHAMBER prmtop, I got an error says,


"CHAMBER prmtops cannot be used with NMODE".

Is there a way to do NMODE or other methods to calculation entropy for a CHAMBER prmtop(charmm force field)?
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Received on Mon Dec 13 2021 - 23:30:02 PST