[gmx-users] converting xtc to pdb without need to tpr file using trjconv

2017-08-06 Thread Neda Rafiee
Dear users, Anyone knows how can I use trjconv to convert an xtc file to pdb format without need to tpr file ? Thanks, Neda -- 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.gr

Re: [gmx-users] converting xtc to pdb without need to tpr file using trjconv

2017-08-07 Thread Justin Lemkul
On 8/7/17 2:42 AM, Neda Rafiee wrote: Dear users, Anyone knows how can I use trjconv to convert an xtc file to pdb format without need to tpr file ? trjconv does accept PDB files to -s but then you don't get PBC or connectivity information. You need to provide some source of atom and resid

Re: [gmx-users] converting xtc to pdb without need to tpr file using trjconv

2017-08-07 Thread Neda Rafiee
Thanks a lot Justin Neda - Original Message - From: Justin Lemkul To: gmx-us...@gromacs.org Sent: Mon, 07 Aug 2017 19:08:05 +0430 (IRDT) Subject: Re: [gmx-users] converting xtc to pdb without need to tpr file using trjconv On 8/7/17 2:42 AM, Neda Rafiee wrote: > Dear users, >