Please keep all Gromacs-related correspondence on the gmx-users list. I do not
offer free private tutoring :)
nikhil damle wrote:
Hi,
GROMACS-3.3.3 provides ATP in the .rtp file of ffG43a1 force field.
But it is not recognized as the protein residue. So then how to carry
out MD simula
Dear Chris,
I have done similar calculation. Look at the supporting
info for http://dx.doi.org/10.1021/jp068587c. If you find
anything useful for you feel free to contact me.
Best regards
Vojtech Spiwok
Message: 1
Date: Wed, 25 Apr 2007 15:39:53 -0400
From: Chris Neale <[EMAIL PROTECTED]>
Su
payal kumari wrote:
Respected Sir
I am working on 1T5A,human pyruvate kinase M2.I mutated the protein at
position 391 replacing histidine with tyrosine in chin A.After that
performed energy minimization using gromacs..Its showed the warning
"Water Box Exploded"
what does it mean and how to re
sina wrote:
Dear developers,
I am a member of Computational Chemistry research group at university of
Tehran. In one of our recent projects, we needed software for executing
our MD calculations. In these respect, we chose GROMACS software because
of its great utilities in MD simulations. We’v
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