Dear Justin, I made the box with 'gmx ediconf'. Should I add some constraints for the box boundary for non-pbc box? Would you please give more hints? Thank you very much!
Regards, Zhuo ________________________________ 发件人: 张 卓 <zhangzhu...@hotmail.com> 发送时间: 2019年10月8日 10:40 收件人: gromacs.org_gmx-users@maillist.sys.kth.se <gromacs.org_gmx-users@maillist.sys.kth.se> 主题: 回复: Re: [gmx-users] Implicit Solvent and Box Size 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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
