Yuranat Saikatikorn wrote:
then what is the force field that suitable for my work?
The problem is that you're mixing force fields. PRODRG generates
ffgmx-compatible topologies (the quality of which may be questionable), and
you're trying to combine it with a Gromos96 force field. That's not a good
idea; you have to be consistent. The PRODRG beta server produces
Gromos96-compatible topologies (with the same caveats about accuracy).
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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