Re: [gmx-users] combine two pdb files

gt; From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto: > gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of masoud > keramati > Sent: Saturday, November 28, 2015 1:12 PM > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] combine two pdb files > >

Re: [gmx-users] combine two pdb files

ehalf Of masoud keramati Sent: Saturday, November 28, 2015 1:12 PM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] combine two pdb files hi yes that's right. but it's renuber atoms not residues. is the same residue number make an error? tnx : ) On Sat, Nov 28, 2015 at 1:57 AM, Pet

Re: [gmx-users] combine two pdb files

hi yes that's right. but it's renuber atoms not residues. is the same residue number make an error? tnx : ) On Sat, Nov 28, 2015 at 1:57 AM, Peter Stern wrote: > AFAIK pdb2gmx doesn't care about the atom numbers in your pdb file since > in any case it reorders them and renumbers them after add

Re: [gmx-users] combine two pdb files

You can try using editconf with resnr 1. On Nov 28, 2015 3:57 AM, "Peter Stern" wrote: > AFAIK pdb2gmx doesn't care about the atom numbers in your pdb file since > in any case it reorders them and renumbers them after adding hydrogen > atoms. Did you try it? > > Regards, > Peter > > Sent from my

Re: [gmx-users] combine two pdb files

AFAIK pdb2gmx doesn't care about the atom numbers in your pdb file since in any case it reorders them and renumbers them after adding hydrogen atoms. Did you try it? Regards, Peter Sent from my iPad > On 27 בנוב׳ 2015, at 22:28, masoud keramati wrote: > > Hello > > I want to simulate two p

[gmx-users] combine two pdb files

Hello I want to simulate two proteins and need to combine these two pdb files in one. important thing is the atom number. if combine with cat command it gives a file that contain two atom with the same atom and residue number that will make an error in simulation. is there exist any way to combine