Dear Gromacs users,
Just was wondering if it is possible to protein solution let say Lysozyme in
Water example of Justin tutorial at different pH and ionic strengths, if so how?
Thanks
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It is impossible. But you can add proton to the acidic amino acid.
At 2013-11-01 20:36:41,Mass masstransfer_2...@yahoo.com wrote:
Dear Gromacs users,
Just was wondering if it is possible to protein solution let say Lysozyme in
Water example of Justin tutorial at different pH and ionic
On 11/1/13 8:39 AM, xiao wrote:
It is impossible. But you can add proton to the acidic amino acid.
It's certainly not impossible. There are constant-pH methods that exist; the
list archive contains many posts on this topic, and more information can be
found at:
Following up on Justin's reply I just want to add that, not only is it
possible, as it has been done before. For instance:
http://www.ncbi.nlm.nih.gov/pubmed/18214978
http://www.ncbi.nlm.nih.gov/pubmed/22072522
Luís Filipe
ITQB-UNL, Portugal
2013/11/1 Justin Lemkul jalem...@vt.edu
On
I notice that both papers mention modifications to GROMACS and cite the
following:
http://www.ncbi.nlm.nih.gov/pubmed/16471903
Following up on Justin's reply I just want to add that, not only is it
possible, as it has been done before. For instance:
http://www.ncbi.nlm.nih.gov/pubmed/18214978
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