Re: [gmx-users] extra Oxygen ....upon modification of middle residue

Thanks a lot Justin. On Wed, Aug 29, 2012 at 11:57 PM, Justin Lemkul wrote: > > > On 8/29/12 2:19 PM, tarak karmakar wrote: >> >> Dear All, >> >> In my protein pdb file I am changing the protonation state of residue >> and giving some other name to it . Now after creating the .gro file I >>

Re: [gmx-users] extra Oxygen ....upon modification of middle residue

On 8/29/12 2:19 PM, tarak karmakar wrote: Dear All, In my protein pdb file I am changing the protonation state of residue and giving some other name to it . Now after creating the .gro file I see that the residue present before the modified one has been considered as the C-terminal and it is

[gmx-users] extra Oxygen ....upon modification of middle residue

Dear All, In my protein pdb file I am changing the protonation state of residue and giving some other name to it . Now after creating the .gro file I see that the residue present before the modified one has been considered as the C-terminal and it is adding one extra oxygen atom to it. I am givin