ABEL Stephane 175950 wrote:
Dear All,
I am looking for a topology file (*.itp) for trehalose for simulations with the GROMOS53A6 (or more recent). Does someboby know where I can find it?
It is a building block in the 53a5/53a6 parameter sets, so pdb2gmx can build the
topology. Do be aware that there appear to be some problems with (at least) one
weird dihedral (http://redmine.gromacs.org/issues/668). I have contacted the
Gromos developers about this, but have yet to receive a reply.
-Justin
Thank you in advance for your help
Stéphane
------------------------------
Stéphane Abel, PhD
CEA Saclay
DSV/IBITEC-S/SB2SM & CNRS URA2096
91191 Saclay, FRANCE
URL: http://www.st-abel.com
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--
========================================
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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