On 9/11/13 10:06 AM, Rama Krishna Koppisetti wrote:
Those lines are related to DMPC lipid dihedrals.
I know that much. I am trying to extract some actual detail here so I can help
you reach a conclusion. The error indicates line numbers in the topology. On
those line numbers are a sequence of atom numbers, which can be mapped back to
atom types. I'm asking you what that specific information is.
-Justin
On Wed, Sep 11, 2013 at 8:17 AM, Justin Lemkul <jalem...@vt.edu> wrote:
On 9/11/13 9:05 AM, Rama Krishna Koppisetti wrote:
Hi Justin,
Should I use R-B dihedrals for DMPC lipids rather than periodic
dihedrals.
You should use whatever the force field tells you.
I'm getting an Error message like,
ERROR 18815 [file topol.top, line 54180]:
No default Ryckaert-Bell. types
ERROR 18816 [file topol.top, line 54181]:
No default Ryckaert-Bell. types
What are the dihedrals on these lines?
-Justin
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University of Maryland, Baltimore
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jalem...@outerbanks.umaryland.edu | (410) 706-7441
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