[gmx-users] hydrogen bonds

Vasilis Georgilas vasilis.georgilas at BEST.eu.org
Fri Jul 30 17:55:43 CEST 2010


Hello everyone,

in the NPT simulation I run I have 2 layers of water and palmitic acid in
between.
How i should make my index file to see the different kinds of hydrogen
bonds?

ps
there will be water - water , O= ..... O= between PLM, O= ...... OH between
PLM and water and OH .... OH between water and PLM hydrogen bonds


thanks in advance

Regards,

Vasilis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100730/886896e2/attachment.html>


More information about the gromacs.org_gmx-users mailing list