[chimera-dev] Query regarding AMBER tool in chimera
Elaine Meng
meng at cgl.ucsf.edu
Mon Aug 3 09:29:25 PDT 2020
Dear Bhanu,
It is whatever atoms are in the structure. There is no implicit solvent. So whatever waters are in the structure, or that you have added to the structure (see Tools... Structure Editing... Solvate) would be included.
<http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/solvate/solvate.html>
<http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.html>
For the future, questions about using Chimera should be sent to chimera-users at cgl.ucsf.edu. This chimera-dev at cgl.ucsf.edu list is for questions about writing code (python etc.).
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
> On Aug 3, 2020, at 9:14 AM, Bhanu Sharma <bhanukumar331 at gmail.com> wrote:
>
> Dear sir/mam
> I am using the AMBER module in Chimera. I just want to know that when we minimize energy of a protein structure using AMBER in chimera then is it done in vacuum or in solvent. I also googled it but did not find a satisfactory answer. Please help me.
> _ _
>
> Best regards,
>
> Bhanu sharma
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