[Chimera-users] the version of Ambertools that are used in the command "Write prmtop"?
nazarychev at imc.macro.ru
Wed Oct 27 02:43:26 PDT 2021
Thank you for your help.
Maybe you know how to build *.prmtop file of substance namely in the GAFF
force field, using Chimera's tools?
вт, 26 окт. 2021 г. в 20:14, Eric Pettersen <pett at cgl.ucsf.edu>:
> Hi Victor,
> Most of Chimera uses AmberTools18 (e.g. minimization; charge
> addition), but specifically the tools in the Tools→Amber menu use
> functionality provided by sleap, which is not distributed with current
> versions of AmberTools. Those tools use AmberTools 1.5, which was released
> in 2011.
> Eric Pettersen
> UCSF Computer Graphics Lab
> > On Oct 26, 2021, at 2:21 AM, Victor Nazarychev via Chimera-users <
> chimera-users at cgl.ucsf.edu> wrote:
> > Dear Chimera's users,
> > I built amber's .inpcrd and prmtop files using command write prmtop from
> Tools/Amber/Write Prmtop. I used Chimera 1.15 (build 42334), but how could
> I figure out what version of AmberTools is incorporated in this Chimera
> > Best regards,
> > Victor
> > _______________________________________________
> > Chimera-users mailing list: Chimera-users at cgl.ucsf.edu
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