[gmx-users] Water molecule can not be settled - mdrun error
jalemkul at vt.edu
Fri Sep 21 17:33:14 CEST 2012
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:
The link that Peter posted has proper vdwtype and rvdw_switch settings (which
say the same as the above link):
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users