[gmx-users] converted topology from amber to gromacs
nhai.qn at gmail.com
Fri Feb 19 08:10:02 CET 2016
You should know which AMBER force field when you made the topology file.
(How did you make it?)
On Fri, Feb 19, 2016 at 12:56 AM, mohammad r <mohammad.r0325 at yahoo.com>
> Hi gromacs users,
> I've generatedinitial structure of my system by using ambertools (topology
> andcoordinate files) and converted it to gromacs format (.gro and .top)by
> parmed, but in topology file it doesn't refer to any forcefield.Does it
> make any problem in the results or it is ok? Because when Icompare the
> simulation result with experiment it is incorrect.
> Thank you, Mohammad.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * 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