how to caculate the hydrogen bonds occupancy?

From: lnubiofox (
Date: Sun May 13 2007 - 09:36:35 CDT

 Dear users, I want to analysis the hydrogen bonds of a dcd file, unfortunately as far as I know there is no tools which can do this containing in vmd. At first ,I try to use gromacs instead,however,after I am familiar with it I found that gromacs cannot read dcd files and it is impossible to get the tpr file which gromacs needed to analysis. Is there any scripts which help us to get the occupancy of hydrogen bonds during the simulation ? Or is there any other ways to achieve this using vmd ? Any suggestions will be appreciated. Best regards, Yuan Liu Liaoning university P.R.China

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:40 CST