[gmx-users] GROMACS to AMBER
nicolas.sapay at cermav.cnrs.fr
Tue Aug 11 09:17:14 CEST 2009
You can try VMD. I is able to write coordinates in a lot of format,
including the dcd and crd ones. Both are readable by ptraj, I believe.
Otherwise, you can have a look on OpenBabel. Be careful when you convert
you trajectory into the Amber format. You probably have to include the box
size definition. The appropriate output format should be crdbox or boxcrd
Keep in mind that quite often, converting a trajectory into another format
is useless if you don't convert the topology/parameters as well.
> Hello all.
> I would like to know if there is a way to convert .trr or .xtc files from
> GROMACS to .crd files (AMBER trajectory).
> Best regards,
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[ Nicolas Sapay - Post-Doctoral Fellow ]
CERMAV - www.cermav.cnrs.fr
BP53, 38041 Grenoble cedex 9, France
Phone: +33 (0)4 76 03 76 44/53
More information about the gromacs.org_gmx-users