wuxiao wrote:
Hi,
I would like to perform some MD simulations for polymeric system using
GROMACS. Only to find that none of the existing force fields is suit to
my system. Fortunately, the force field functions and the coresponding
parametes have been published. So an idea comes to me that whether I can
add this forcefield to GROMACS for modelling the system. Are there any
guys in this maillist who did so. Any hints would be thanked.
With a thorough understanding of Chapters 4 and 5, as well as having a look at
how the existing force fields are organized, you should be able to implement
your new force field.
-Justin
Chaofu Wu
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
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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