[AMBER] Use of param.Frosst parameters to prepare a ligand in Ambertools?

From: Anne Nierobisch <anne.nierobisch.kellogg.ox.ac.uk>
Date: Wed, 9 Aug 2017 13:57:57 +0000

Dear all,

I would like to use the "parm.frosst" parameters to prepare my ligands in Ambertools.
I know that Moe has the param.Frosst files implemented in its ff database, but as I don't have a Moe license, I need to use Ambertools. Apparently, the needed .frcmod file can be downloaded from http://www.ccl.net/cca/data/parm_at_Frosst/.

I checked the ambermd archive, where I found an old discussion about using the parameters from http://www.ccl.net/cca/data/parm_at_Frosst/ (http://archive.ambermd.org/201202/0316.html),
but apparently these parameters were never implemented in Ambertools?

Does anyone know how to manually implement the param.frosst parameters in Ambertools in order to prepare the ligand with these parameters? I tried various things, but none of them appeared to work out.

Any suggestion would be greatly appreciated!

AMBER mailing list
Received on Wed Aug 09 2017 - 07:00:02 PDT
Custom Search