On 10/7/19 10:40 PM, 张 卓 wrote:
Dear Justin,
I have tried implicit solvent without pbc or barostat. The box was not
compressed but the molecules flew out of the box. I believe that it was because
of nopbc box. Would you please give more information on why implicit solvent is
used without
Dear Justin,
I have tried implicit solvent without pbc or barostat. The box was not
compressed but the molecules flew out of the box. I believe that it was because
of nopbc box. Would you please give more information on why implicit solvent is
used without pbc?
Thanks！
Regards,
Zhuo
--
