On 6/05/2011 2:21 AM, Sikandar Mashayak wrote:
Hi
As a test case, I did two simulations one the usual Protein in Water
and other with Vsites at COM of each monomer but these Vsites dont
interact with anyone else. I was expecting results of these two should
match almost exactly, but when I
On 2011-05-05 11:21:54AM -0500, Sikandar Mashayak wrote:
Hi
As a test case, I did two simulations one the usual Protein in Water and
other with Vsites at COM of each monomer but these Vsites dont interact with
anyone else. I was expecting results of these two should match almost
exactly,
well the deviations are about more than 0.5 nm..
On Fri, May 6, 2011 at 1:49 AM, Peter C. Lai p...@uab.edu wrote:
On 2011-05-05 11:21:54AM -0500, Sikandar Mashayak wrote:
Hi
As a test case, I did two simulations one the usual Protein in Water and
other with Vsites at COM of each monomer
On 6/05/2011 5:32 PM, Sikandar Mashayak wrote:
well the deviations are about more than 0.5 nm..
And what does gmxcheck -s1 -s2 show?
Mark
On Fri, May 6, 2011 at 1:49 AM, Peter C. Lai p...@uab.edu
mailto:p...@uab.edu wrote:
On 2011-05-05 11:21:54AM -0500, Sikandar Mashayak wrote:
Hi
As a test case, I did two simulations one the usual Protein in Water and
other with Vsites at COM of each monomer but these Vsites dont interact with
anyone else. I was expecting results of these two should match almost
exactly, but when I compare the rmsd for Protein there seems to be
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