Thanks a lot for your quick reply Pr. Case
Stéphane
________________________________________
De : David A Case [david.case.rutgers.edu]
Envoyé : mercredi 10 novembre 2021 16:56
À : AMBER Mailing List
Objet : Re: [AMBER] Warnings for sp2 for two improper dihedrals
On Wed, Nov 10, 2021, ABEL Stephane wrote:
>
>I am using tleap and AMBER14SB force filed for my protein. In the leap log I have a lot of lines with warnings for two improper dihedrals involving the N3 atoms
>
> ** Warning: No sp2 improper torsion term for C8-H-N3-H
> atoms are: CE HZ2 NZ HZ3
> ** Warning: No sp2 improper torsion term for H-H-N3-H
> atoms are: HZ1 HZ2 NZ HZ3
>
>It is safe to ignore them and continue ?
Yes...dac
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Received on Wed Nov 10 2021 - 08:30:02 PST
