Thanks Jason!
very helpful! I have been looking for a detailed parmed's syntax manual
but I could not find it. Do you have any?
best
and
On 05/05/2017 20:31, Jason Swails wrote:
>
>
>> On May 5, 2017, at 3:38 AM, Andrea Spitaleri <andrea.spitaleri.iit.it> wrote:
>>
>> 2. using parmed to get the aforementioned dihedral angles:
>>
>> (.O.C.N.H)&:1|:2
>>
>> give me back several results. How can I get *only" the info on O-C-N-H?
> The printDihedrals command takes anywhere between 1 and 4 separate masks. So if you want just the info on O-C-N-H, use this command:
>
> printDihedrals .O .C .N .H
>
> If you want it just for residues 1 and 2, change that to
>
> printDihedrals :1-2.O :1-2.C :1-2.N :1-2.H
>
> HTH,
> Jason
>
> --
> Jason Swails
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--
Andrea Spitaleri PhD
Computational mOdelling of NanosCalE and bioPhysical sysTems - CONCEPT Lab
ISTITUTO ITALIANO DI TECNOLOGIA
Via Morego 30, 16163 - Genova, Italy
https://iit.it/research/lines/computational-modelling-of-nanoscale-and-biophysical-systems
cell: +39 3485188790
https://iit.it/andrea-spitaleri
ORCID: http://orcid.org/0000-0003-3012-3557
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Received on Fri May 05 2017 - 13:00:02 PDT
