[gmx-users] AA not present in the ffG43a1.rtp
mattia.sturlese at unipd.it
Tue Apr 8 12:54:14 CEST 2008
I have a protein with an oxidated Cys( to sulfinic acid) , this
residue is not present in the residue database. I use PRODGR to obtain
the .itp file of the residue but I don't start grompp ....
How I insert this residue in the rtp file?? I trying insert the
parameters manually but I have explicit data of angles, bond, dihedral
and impropers....but ffG43a use Gromos Type definition as ga_XX or
gb_XX...... Where i find a database of this gromos type? Or How I can
insert my .itp file ?
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