subject:"\[gmx\-users\] \-ighn failing with ffamber"

Re: [gmx-users] -ighn failing with ffamber

2009-06-15 Thread Justin A. Lemkul

Alan wrote: Hi there, I am trying to understand why when doing: pdb2gmx -f GGG.pdb -ff amber99sb -ignh I am getting: WARNING: atom H is missing in residue GLY 2 in the pdb file You might need to add atom H to the hydrogen database of residue GLY in the file ff???.hdb (see t

[gmx-users] -ighn failing with ffamber

2009-06-15 Thread Alan

Hi there, I am trying to understand why when doing: pdb2gmx -f GGG.pdb -ff amber99sb -ignh I am getting: WARNING: atom H is missing in residue GLY 2 in the pdb file You might need to add atom H to the hydrogen database of residue GLY in the file ff???.hdb (see the manual)