RE: [gmx-users] g_hbond question

2006-03-22 Thread Moore, Jonathan (J)
-users] g_hbond question hi jonathan, the actually occuring hydrogen bonds are listed in the log-file. daniela On Tue, 2006-03-21 at 14:56 -0800, Moore, Jonathan (J) wrote: I created a hydrogen bond map using g_hbond of version 3.3. The manual indicates that for the hbmap the Ordering

[gmx-users] g_hbond question

2006-03-21 Thread Moore, Jonathan (J)
I created a hydrogen bond map using g_hbond of version 3.3. The manual indicates that for the hbmap the Ordering is identical to that in -hbn index file. However, in my case, the hbmap file contains 13 hydrogen bond indices, but the hbond.ndx file lists 20 sets of donors and acceptors. Why

Re: [gmx-users] g_hbond question

2006-03-21 Thread Daniela S. Mueller
hi jonathan, the actually occuring hydrogen bonds are listed in the log-file. daniela On Tue, 2006-03-21 at 14:56 -0800, Moore, Jonathan (J) wrote: I created a hydrogen bond map using g_hbond of version 3.3. The manual indicates that for the hbmap the Ordering is identical to that in