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
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@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 _______________________________________________ Chimera-users mailing list: Chimera-users@cgl.ucsf.edu Manage subscription: https://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users