Re: [AMBER] Warning of sp2 improper torsion from Amber tutorial 1.1.4 "Building Protein Systems in Explicit Water"

From: David A Case <>
Date: Thu, 1 Jul 2021 08:14:00 -0400

On Thu, Jul 01, 2021, 王维 wrote:
>I am using Amber 18 to follow the tutorial "1.4
>Building Protein Systems in Explicit Solvent"
>When I have done the tutorial and check my leap.log file, I find eight
>warnings like "** Warning: No sp2 improper torsion term for C*-CN-CB-CA
>atoms are: CG CE2 CD2 CE3". I have compared this to the leap.log online,
>which dose not contain such warnings.
>Should I care about this? Or is it just resulted from the difference in
>Amber version?

You can ignore these warnings.


AMBER mailing list
Received on Thu Jul 01 2021 - 05:30:02 PDT
Custom Search