For example, C* is used in ffbonded.itp, which can be looked up in
ffnonbonded as opls_500, which atomtypes.atp reveals as a Trp gamma carbon.
Mark
On Sat, Jun 1, 2013 at 2:27 AM, Broadbent, Richard <
richard.broadben...@imperial.ac.uk> wrote:
> The conversion is in ffnonbonded.itp. However, un
The conversion is in ffnonbonded.itp. However, unless you plan to modify
the forcefield you shouldn't need this.
Richard
On 01/06/2013 00:57, "Hari Pandey" wrote:
>Dear Gromacs users,
>
>I am a new user and I have some questions
> I confused about indexing. in atomtypes.atp clearly we can kn
Dear Gromacs users,
I am a new user and I have some questions
I confused about indexing. in atomtypes.atp clearly we can know the index
is for what kind of atom but in ffbondedtype.itp there is different kind of
the indexing so I confused how do i pathch the force field .
Some are obvious
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