On 2/6/13 6:48 AM, George Patargias wrote:
Hello
Apologies if this topic has been already discussed; I didn't manage to
find something relevant on the list.
How safe is to use the AMBER FF with GROMACS? I am aware of the validation
for the ffamber ports here
http://ffamber.cnsm.csulb.edu/#validation
and here
Sorin & Pande (2005), Biophysical Journal, 88, 2472-2493.
The new GROMACS distributions have integrated the ffamber ports and there
are quite a few papers where GROMACS is used in conjunction with AMBER FF.
I just wanted to double-check.
We have used several Amber force fields for diverse systems and have never had
any problems.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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