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Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt - PANDA, EMBL-EBI
CB10 1SD, Hinxton, Cambridge, UK
+44 1223 49 4588
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]
C[2] -= 4 * V[period]
C[4] += 4 * V[period]
So, as you can see, I can handle up to 4 periods (C[5] is always 0, but not
with ILDN and I need to add C[6] rules as well).
Any ideas? Many thanks in advance,
Alan
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Alan Wilter SOUSA da SILVA, DSc
and above.
But I don't want to fuss about it. If to forget about GMX 4.0.x and below is
the way, so it will be.
Thanks,
Alan
On 31 March 2011 16:08, David van der Spoel sp...@xray.bmc.uu.se wrote:
On 2011-03-31 15.27, Alan Wilter Sousa da Silva wrote:
Hi there,
Since ILDN dihedrals has some
Court Road, Cambridge CB2 1GA, UK.
http://www.bio.cam.ac.uk/~awd28
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Alan Wilter SOUSA da SILVA, D.Sc.
Bioinformatician, UniProt - PANDA, EBI-EMBL
CB10 1SD, Hinxton, Cambridge, UK
+44 1223 49 4588
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2010 18:13, Alan Wilter Sousa da Silva
awil...@ebi.ac.ukwrote:
Have a look at acpype.googlecode.com
Alan
2010/12/23 gromacs564 gromacs...@126.com
Hi ,
I have obtained some files(.top,.crd,.pdb) about disaccharide via
glycam web(they are glycam06 force field,included in AMBER
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Alan Wilter SOUSA da SILVA, D.Sc.
Bioinformatician, UniProt - PANDA, EBI-EMBL
Hi there,
I am trying to use python xdrlib module to read edr files but not knowing
how the data is packed using the xdr protocol makes my work very difficult,
if not impossible.
Would someone kindly tell me how data is packed in the edr file? Or where it
is the gromacs code so I can try to
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