Re: [gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

Good to know, thanks. J On Wed, Nov 8, 2017 at 12:54 PM, Justin Lemkul wrote: > > > On 11/8/17 5:52 AM, João Henriques wrote: > >> Hi Johannes, >> >> I'd suggest contacting someone at the MacKerell Lab instead. I believe >> they >> are responsible for the FF and for its

Re: [gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

On 11/8/17 5:52 AM, João Henriques wrote: Hi Johannes, I'd suggest contacting someone at the MacKerell Lab instead. I believe they are responsible for the FF and for its maintenance. Otherwise this issue might get lost here and never make it to the people that absolutely need to know about

Re: [gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

On 11/8/17 5:32 AM, Hermann, Johannes wrote: Dear all, I do not know if this is right place to put this, please feel free to redirect my comment. I think I found a small typo in charmm36-jul2017 ff in the merged.rtp file for residue NAI: In the [ atoms ] section line N71N   HN1   

Re: [gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

Hi Johannes, I'd suggest contacting someone at the MacKerell Lab instead. I believe they are responsible for the FF and for its maintenance. Otherwise this issue might get lost here and never make it to the people that absolutely need to know about it. Look at the original paper and send an

[gmx-users] Typo for atom in charmm36-jul2017 ff for residue NAI

Dear all, I do not know if this is right place to put this, please feel free to redirect my comment. I think I found a small typo in charmm36-jul2017 ff in the merged.rtp file for residue NAI: In the [ atoms ] section line N71N   HN1    0.260 69 should read H71N   HN1    0.260 69 and