[gmx-developers] coordinates separated by molecules
Dallas B. Warren
Dallas.Warren at pharm.monash.edu.au
Thu Feb 19 00:41:39 CET 2009
Have a look at the Gromacs Intro page in the Development section of
the wiki, that may have what you are looking for.
A polar bear is a Cartesian bear that has undergone a polar
On 19/02/2009, at 10:27 AM, "Mark Abraham" <Mark.Abraham at anu.edu.au>
> Alexander Malafeev wrote:
>> Hi, GROMACS users!
>> Please, tell me how to get access to atoms coordinates in
>> determined molecule in main loop of gromacs template?
> Look at the source code for some other utility that does a similar
> job and see how it does it.
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