Re: [gmx-users] Missing Residues are list ind pdb file

Hi, Note, that this is indeed the size of the charge groups in the CHARMM force field. You could run pdb2gmx -nochargegrp if you know what you're doing. Regards, Pär Bjelkmar > I think the notes from grompp are pretty clear. You need to redivide > your charge groups so that they contain fewe

Re: [gmx-users] Missing Residues are list ind pdb file

Hi Jack, On Fri, Jan 15, 2010 at 8:05 PM, Jack Shultz wrote: > I'm trying to prep Fe-Hydrogenase again (1YQW). I took out all the > non-standard residues. Re-named n-terminal and c-terminal residues. Took out > connects because that worked last time though I'm uncertain if connect > really mater

[gmx-users] Missing Residues are list ind pdb file

I'm trying to prep Fe-Hydrogenase again (1YQW). I took out all the non-standard residues. Re-named n-terminal and c-terminal residues. Took out connects because that worked last time though I'm uncertain if connect really maters. Another issue with preping a protein. Its says I a missing H and HA