[Chimera-users] the version of Ambertools that are used in the command "Write prmtop"?
pett at cgl.ucsf.edu
Wed Oct 27 10:58:52 PDT 2021
I'm not sure I understand the question. The Write Prmtop tool will write a .prmtop file using GAFF types if necessary. That prmtop file uses a somewhat older version of the prmtop format, but most tools will still read it.
> On Oct 27, 2021, at 2:43 AM, Victor Nazarychev <nazarychev at imc.macro.ru> wrote:
> Dear Eric,
> 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?
> Best regards,
> вт, 26 окт. 2021 г. в 20:14, Eric Pettersen <pett at cgl.ucsf.edu <mailto: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 <mailto: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 release?
> > Best regards,
> > Victor
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