[gmx-users] OPLS force field issue

[Thomas Schlesier]

Hi,
if you create the topol.top with 'pdb2gmx', the values for all the 
parameters are not listed in the topology. Only all the atom numbers, 
from these GROMACS can search the atom- and/or bondtypes and then it 
constructs the bonded parameters. If any parameters are missing 'grompp' 
will complain.
Greetings
Thomas

Am 06.12.2013 20:26, schrieb 
gromacs.org_gmx-users-request at maillist.sys.kth.se:
> Hi gmx users,
>
> I try to use OPLS force field for my simulation. I added the following residue to the aminoacids.rtp, but when I generate the topol.top file it does not show the the bond stretching, angle bond, dihedrals. Where should I add these properties? It seems different from gromos where you can add g_a, g_b, and g_d in fbonded.itp.
>
> Thanks,
> Ehsan