On 10/7/19 11:12 AM, zhangzhu...@hotmail.com wrote:
Dear Paul, Thanks for your advice. Since my system is acidic, I thought implicit solvent would get better approximation as I read from the GROMACS website. So there was no idea about my problem?
Implicit solvent is used without PBC and no pressure coupling. If you apply a barostat, the system compresses because there is no internal pressure to counteract the barostat.
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