packmol and hyperchem can do it for u.
On Wed, Feb 16, 2011 at 4:57 AM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 16/02/2011 11:24 PM, oguz gurbulak wrote:
*Dear All*,
I want to generate some initial crystalline structures of my target molecules
for md simulations. *Are there any
Dear All,
I want to generate some initial crystalline structures of
my target molecules for md simulations. Are there any free softwares to do this?
And are there any complete sources that give the
theoretical structures of organic molecules ( like hydrocarbons ) determined by
the
On 16/02/2011 11:24 PM, oguz gurbulak wrote:
/Dear All/,
I want to generate some initial crystalline structures of my
targetmolecules for md simulations. /Are there any free softwares/ to
do this?
Some sources for obtaining initial coordinates can be found here
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