afsaneh maleki wrote:
Dear justin,
thanks for your helpful reply.
where Gromacs does not have a force field of its own, but is compatible
with GROMOS, OPLS, AMBER, and
ENCAD force fields. why in "ions.itp" #ifdef _FF_GROMACS is defended?
This corresponds to ffgmx (a deprecated Gromos87 with some manual hacks).
-Justin
Best wishes,
Afsaneh Maleki
--
========================================
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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