subject:"\[gmx\-users\] \[Fwd\: h\-bonds constraints\]"

Re: [gmx-users] [Fwd: h-bonds constraints]

2011-12-20 Thread Justin A. Lemkul

Gavin Melaugh wrote: Subject: h-bonds constraints From: Gavin Melaugh Date: Mon, 19 Dec 2011 10:20:40 + To: Discussion list for GROMACS users To: Discussion list for GROMACS users Hi I want to run an NPT simul

[gmx-users] [Fwd: h-bonds constraints]

2011-12-20 Thread Gavin Melaugh

--- Begin Message --- Hi I want to run an NPT simulation with all h-bonds constrained. How does grompp identify the Hydrogen atoms given that forcefield labels like HA, HC, HE are used. Is it the mass? Many Thanks Gavin --- End Message --- -- gmx-users mailing listgmx-users@gromacs.org ht