On 9/21/12 11:26 AM, Lara Bunte wrote:
Hi Justin
Sorry but I don't understand what you mean with "Despite being given the
correct settings for CHARMM27, you're still not using
them." I use exactly the settings Peter gave me in my last question. What is in
this settings wrong and where could I find the right settings?
I posted this link before:
http://lists.gromacs.org/pipermail/gmx-users/2012-September/074717.html
The link that Peter posted has proper vdwtype and rvdw_switch settings (which
say the same as the above link):
http://cmb.ornl.gov/members/z8g/cheat-sheet-for-gromacs
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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