Vitaly V. Chaban wrote:
Hi,
Is there any place to read how gromacs treats polarizable models?
The only thing I found in the official manual is that shells are
denoted as "S" in the topology. What is especially interesting for me
now is a concrete implementation and the ways of use.
Our old SW water model is in the distribution (sw.itp).
The reference to the paper is in there IIRC.
Thanks in advance.
Vitaly
--
Vitaly V. Chaban, Ph.D.
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: [email protected],[email protected]
skype: vvchaban, cell.: +38-097-8259698
http://www-rmn.univer.kharkov.ua/chaban.html
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David van der Spoel, Ph.D., Professor of Biology
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