Re: Error Regarding minimization

From: Brian Radak (brian.radak_at_gmail.com)
Date: Tue Jan 30 2018 - 09:51:13 CST

This sounds like a) an error in the parm7 file or b) a missing NAMD keyword
for AMBER calculations (maybe readExclusions?).

You can check the former by running with AMBER and the latter by maybe
looking over the settings for using the AMBER FF in NAMD (
http://ambermd.org/namd/namd_amber.html)

On Tue, Jan 30, 2018 at 10:36 AM, Aashish Bhatt <aashish.ph16221_at_inst.ac.in>
wrote:

> Dear Sir
>
> I have run a small calculation in gas phase. I have prepare topology and
> coordinate file in amber force field and i got error in first step
> minimization
>
>
> *FATAL ERROR: 1-4 interaction in dihedral not found in exclusion list!*
>
> I also run the calculation in solvent phase but it is not giving any
> error. Its perfectly running.
> so can you help me to short out this issue.
>
> Regards
>
> Aashish Bhatt
>
>
>

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