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Dear developers,<br>
<br>
I wanted to ask whether there are any plans to implement
Stillinger-Weber (SW) potentials in GROMACS. I would like to use
them for a coarse grained description of water (see e.g. Molinero
and Moore, J. Phys. Chem. B 113, 4008 (2009)).<br>
<br>
I could use LAMMPS with this potential, but since this code is
typically much slower than GROMACS I would again lose a good part of
the speed up obtained by the coarse grained description. So an
implementation of SW potentials in GROMACS would be a much better
solution.<br>
<br>
Are there any plans to add this feature in the near future?<br>
<br>
Many thanks in advance.<br>
<br>
Kind regards,<br>
Stephan<br>
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<p><font color="#666666">Stephan Mohr, PhD</font><br>
<font color="#666666"> Senior Researcher<br>
</font><font color="#666666"><span style="color:#595959"
lang="ES">Barcelona Supercomputing Center</span><b><span
style="color:#595959" lang="ES"><br>
</span></b></font><span style="color:#595959" lang="ES">C/
Jordi Girona 29, 08034 Barcelona, Spain<br>
</span><span style="color:#595959" lang="ES"><span
class="m_-1078488899297932524tel">Tel: +34 934 13 79 10<br>
</span></span><font color="#666666">Email: <a
class="m_-1078488899297932524moz-txt-link-abbreviated"
href="mailto:stephan.mohr@bsc.es" target="_blank">stephan.mohr@bsc.es</a><br>
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<br>
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