[gmx-users] PBC issue

2015-07-03 Thread tm651209
Dear all, I pulled a protein using pdc=xyz, and want to do unloading simulation. The problem is both ends of the protein run out of the boundary after pulling. After unloading for a while, I found that both ends did not connect to where they should connect. Is there a way that I can regenerat

Re: [gmx-users] PBC issue

2015-07-04 Thread Christopher Neale
x-users-boun...@maillist.sys.kth.se on behalf of tm651209 Sent: 03 July 2015 06:29 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] PBC issue Dear all, I pulled a protein using pdc=xyz, and want to do unloading simulation. The problem is both ends of the protein run out of