oguz gurbulak wrote:
Dear All,
I'm planning to use Gromacs for analysis with Amber trajectory files (
mdcrd, rst files ). And I found a script that converts Amber mdcrd files
to *Gromacs-compatible .xtc *files. I want to learn that if
*Gromacs-compatible .xtc *files are enough to perform an analysis
<http://www.tureng.com/search/perform+an+analysis> using Gromacs tools ?
"Analysis" is too vague a description to get a useful answer. Some
GROMACS analysis tools will be fine with just your trajectory file, some
will require atom names that could come from a PDB or .tpr file, some
will require atom types and/or connectivity that must come from a .tpr
file. This goes for AMBER too!
or Will I have to have some other files for analysis
<http://www.tureng.com/search/perform+an+analysis> in Gromacs ? I’m
Maybe.
Mark
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
