Re: [gmx-users] multiple chain restrain problem

On 06/27/2013 01:50 PM, Justin Lemkul wrote: Then select by residue number. Note that genrestr will only work for the first molecule, since position restraint numbering is based on the [moleculetype] numbering, not the coordinate file numbering. -Justin thank you very much for kind advic

Re: [gmx-users] multiple chain restrain problem

On 6/27/13 6:27 AM, Albert wrote: Hello: I've got two protein chain in my system. I generate gmx.pdb by pb2gmx, and gromacs generate toplogy and restrain file for each chain: gmx.pdb topol_chain_A.itp topol_chain_B.itp porschain_A.itp porschain_B.itp I noticed that the gmx.pdb doesn't co

[gmx-users] multiple chain restrain problem

Hello: I've got two protein chain in my system. I generate gmx.pdb by pb2gmx, and gromacs generate toplogy and restrain file for each chain: gmx.pdb topol_chain_A.itp topol_chain_B.itp porschain_A.itp porschain_B.itp I noticed that the gmx.pdb doesn't contain any chain information. I am go