Re: [gmx-users] Residue 'COA' not found in residue topology database

2007-12-30 Thread Mark Abraham
vijay kumar hinge vijay wrote: Hello users, iam using gromacs 3.3 version on linux platform.my protein contain 86 residues and ligand molecule (palmityl coA) i got the error while running pdb2gmx with force field gromacs96 43a1.it is saying that Fatal error: Residue 'COA' n

Re: [gmx-users] Residue 'COA' not found in residue topology database

2007-12-30 Thread Tsjerk Wassenaar
Hi Hinge, pdb2gmx is intended to convert protein/nucleic acid chains into topologies. It's not a magical program to convert whatever compound into a topology. Just what it says, there's no residue COA in the database for the force field you're trying to use. Check another force field or try to fin

[gmx-users] Residue 'COA' not found in residue topology database

2007-12-30 Thread vijay kumar hinge vijay
Hello users, iam using gromacs 3.3 version on linux platform.my protein contain 86 residues and ligand molecule (palmityl coA) i got the error while running pdb2gmx with force field gromacs96 43a1.it is saying that Fatal error: Residue 'COA' not found in residue topology database i wil be very t