[Chimera-users] the version of Ambertools that are used in the command "Write prmtop"?

[Eric Pettersen]

Hi Victor,
	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.

--Eric

> 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, 
> Victor 
> 
> 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
> 
>         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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