[gmx-users] Parametrisation of the heteroatomic pdb
jmsstarlight at gmail.com
Fri Oct 28 11:37:57 CEST 2011
Dear Gromacs users!
I've forced with some problem of preparing topology of my input pdb via
My input structure( gramicidin ion chanell) consist of some heteroatoms due
to the presence of the non standart aminoacids in sequence: FOR, DLE, DVA,
ETA ( this the R isomers instad of L analogs)
I've tried to parametriesed that structure via different force fields but in
all cases there are not suitable topologies for that aminoacids
Residue 'FOR' not found in residue topology database
How I can solve that problem? I've tried to look for the suitable itp file
but could not find it too :(
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