[gmx-users] amber force field

Justin A. Lemkul jalemkul at vt.edu
Sun May 1 18:29:28 CEST 2011

Maria Hamilton wrote:
> Hi Justin
> If I want to have Decane.itp file in Amber forcefield for TIP4P-EW what 
> should I do?

In the future, please make sure to:

1. copy only the relevant portion of the digest
2. change the subject line to attract attention

To answer your question, the link I provided earlier contains all the relevant 
(general) points.  You'll have to derive parameters in some way consistent with 
the Amber force field of your choice (there are many parameter sets called 
"Amber").  Moreover, I already answered this question:



> Thanks
> Regards
> Maria


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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