VMD-L Mailing List
From: sarah k (dailycolors_at_gmail.com)
Date: Wed Nov 04 2009 - 23:47:20 CST
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hello Luis,
can you please tell me which version doesn't have this problem? I've used
VMD 1.8.6. the only difference is that I've added an inhibitor instead of
single cathions.
the parameter files in Dr. Amachere's link (
www.pharmacy.umaryland.edu/faculty/amackere/force-fileds.htm) are useful for
proteins, lipids, carbohydrates, nucleic acids and biological
macromolecules. so non of us can use them. seems some atoms should remain
unparameterized.
feel lucky forever,
Sarah Keshavarz
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- Reply: Luis Agullo (LAB): "Re: VMD autopsfgen and Mg2+"
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