[gmx-users] urgent question

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 23 14:33:00 CEST 2008

Quoting Prettl Zsolt <prettl.zsolt at gmail.com>:

> Hello!
> I would like to use Cr3+ for my molecule modelling but I just could not find
> a suitable one for Gromacs anywhere. If somebody has any suggestion, from
> when can I download it, please write me ASAP, because it is very-very
> important!!!!

Step one - check the literature for evidence that someone has simulated this ion
or developed parameters for it.  If not, there may be a good reason.  Read here:


As a note on etiquette, it is often considered impolite to urgently request help
because of the absolute, earth-shattering importance of your work.  Our work is
important too, and you're begging for someone's free time to attend to your
needs :-)


> Thanks in advance,
> Zsolt


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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