[gmx-users] Getting pdb structure

Erik Marklund erik.marklund at chem.ox.ac.uk
Fri Mar 25 15:06:58 CET 2016


gmx trjconv -f your.xc -s your.pr -o snapshot_at_8000.pdb -dump 8000

> On 25 Mar 2016, at 13:30, Amali Guruge <amaligg2010 at gmail.com> wrote:
> 
> Dear All,
> 
> I want to get the pdb structure of the system in 8000 ps time. The whole
> simulation contains 20000 ps. How can I get the pdb structure of the system
> at that time?
> Can anyone help me?
> 
> Thank you.
> -- 
> 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-request at gromacs.org.



More information about the gromacs.org_gmx-users mailing list