[gmx-users] solvent except water
nasiri1355 at gmail.com
Sat Jan 16 11:51:11 CET 2010
I want to use a solvent with two types molecules (for example linear and
cyclic Glucose form).
How can I fill box with them?
I highly appreciate for advice given me!
On Sat, Jan 16, 2010 at 11:42 AM, David van der Spoel
<spoel at xray.bmc.uu.se>wrote:
> leila karami wrote:
>> Dear David
>> in genbox command system solvated by water molecule by default. but I
>> want solvent except water.
>> leila karami
>> OK, now I understand.
> You can give to genbox any solvent that you like, provided that each
> molecule consists of a single residue (the residue number is used to
> distinguish molecules). In the gromacs distribution there are a couple of
> other solvents present. Look in share/gromacs/top directory of your
> installation (or roll your own).
> David van der Spoel, Ph.D., Professor of Biology
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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