Re: [gmx-users] periodic boundary conditions pbc=xyz

Hi Ming Use *-pbc mol* while using trjconv. Anyway it is not another box. Best Regards -- Tushar Ranjan Moharana B. Tech, NIT Warangal Ph D Student, CCMB, INDIA -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before

Re: [gmx-users] periodic boundary conditions pbc=xyz

Hi Ming, You have another box in your (infinite) periodic system? Cheers, Tsjerk On Sun, Apr 5, 2015 at 10:32 AM, Ming Tang m21.t...@qut.edu.au wrote: Dear all, I did a simulation using periodic boundary conditions pbc=xyz. It turns out that the box is defined too small, and some atoms

Re: [gmx-users] periodic boundary conditions pbc=xyz

: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Tsjerk Wassenaar Sent: Sunday, 5 April 2015 7:43 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] periodic boundary conditions pbc=xyz Hi Ming, You have another box