[gmx-users] Differences beetween .g96 and .gro files??
kai.zhuang at gmail.com
Thu Aug 18 22:53:23 CEST 2005
GROMOS96 is the force field. it describe how atoms interact with each
other and such information.
.g96 .gro .pdb are ways of recording a particular system at a
particular time. so essential, you can output anyone of the three, as
long as the forcefield is the same (and take away the random factor),
you should get the same system when you look at it with a
On 8/18/05, Leonardo Sepulveda Durán <leonardosepulveda at gmail.com> wrote:
> I am Using GROMACS3.2.1. In pdb2gmx I use GROMOS96 [G43a1, option 0].
> I usually use .gro extentions for my files. Is the same as using
> .g96??? If not, which is the differece???
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
If you are not the intended receipient of this email, please do not
disclose its information
and notify the sender immediantely. Failure to comply may result in
BioMedical Engineering @ University of Toronto
kai dot zhuang at gmail dot com
More information about the gromacs.org_gmx-users