AMBER Archive (2007)

Subject: AMBER: Converting AMBER-format force fields for tinker

From: Aaron Virshup (aaron_at_spawn.scs.uiuc.edu)
Date: Fri Aug 31 2007 - 14:04:12 CDT

Hi Amber Users,

I have been using AMBER with ff03 and GAFF to do work with my protein
- a tricky one with many non-standard residues. My problem is that I
now need to use the Tinker package, which doesn't include parameters
for either of those force fields. I've also scoured the internet
looking for them, to no avail.

I actually have 3 questions:

1. Is anyone aware of a GAFF or ff03 parameter files in Tinker format?

2. Alternatively, has anyone run into a script/program that can
convert AMBER formatted parameters to tinker format?

3. If not, I'll probably end up writing my own converter script. Is
there an efficient way to expand the 'X' terms for the dihedral
parameters? It seems to me that for each of the terms with two 'X's
will expand to more than 2500 terms, which will make for a very large
parameter file.

Any help would be greatly appreciated!
Thanks,
Aaron <virshup @ uiuc NOSPAM edu>
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