[gmx-developers] How to utilize the index file in code? GROMACS 4.6.3
Jheng Wei Li
lijhengwei at gmail.com
Wed Nov 27 04:28:53 CET 2013
Thank you, Mark.
Or could I find a way to recall the atomtype?
Will that be easier?
JhengWei Li
Institute of Atomic and Molecular Sciences,
Academia Sinica, Taipei 106, Taiwan
On Tue, Nov 26, 2013 at 9:44 PM, Jheng Wei Li <lijhengwei at gmail.com> wrote:
> Hello, all
> I am passing an index file chopping atoms into several subgroups, and
> I want to utilize this information in minimize.c!
> How do I recall index information in minimize.c?
> Please give me some advice or which part of code should I take a look to
> mimic its format!
>
> JhengWei Li
> Institute of Atomic and Molecular Sciences,
> Academia Sinica, Taipei 106, Taiwan
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20131127/dfc04d9a/attachment.html>
More information about the gromacs.org_gmx-developers
mailing list