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-requ...@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
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