[gmx-users] simulation with cofactor

pankaj at cdfd.org.in pankaj at cdfd.org.in
Thu Jul 8 13:33:36 CEST 2004

Hi every body
I am facing some problem when i m doing the simulation of protein with 
PLP cofactor. The initial pdb file has connect records for plp with protein= 
But during the simulation PLP is coming out of the protein.
Is this because the PLP-Protein connection is not defined in gromacs forcefeilds? 
How can this be corrected?

Many- Many thanks in advance

pankaj kumar
C/O Dr H.A.Najarajaram
laboratory of computational biology and Bioinformatics
center for dna fingerprinting and diagonistic
ph.no 91-9848592448


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