[gmx-users] use of PRODRG
elie.moujaes at hotmail.co.uk
Wed Sep 19 04:35:19 CEST 2012
I have been reading about PRODRG that takes a PDB file as an input and produces topologies compatible with GROMACS as an output. Can this program be then considered as a solution to the problem of missing residues in GROMACS like LIG?
N.B: I am using the OPLSAA force field .I also have the files in MDL MOL2 version which do not contain the LIG residue appearing in the PDB file. So maybe using PRODRG on the MOL2 might solve the problem?
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