Re: [gmx-users] Automated RMSD Calculations

2011-03-25 Thread Nancy
Thanks alot for the info. Nancy On Fri, Mar 25, 2011 at 6:22 PM, Justin A. Lemkul wrote: > > > Nancy wrote: > >> Hi All, >> >> I would like to calculate RMSDs of a large number of small molecule >> conformations against a reference conformation, is there a simple software >> program or method t

Re: [gmx-users] Automated RMSD Calculations

2011-03-25 Thread Justin A. Lemkul
Nancy wrote: Hi All, I would like to calculate RMSDs of a large number of small molecule conformations against a reference conformation, is there a simple software program or method that can be used to perform such calculations? This can easily be scripted: http://www.gromacs.org/Document

[gmx-users] Automated RMSD Calculations

2011-03-25 Thread Nancy
Hi All, I would like to calculate RMSDs of a large number of small molecule conformations against a reference conformation, is there a simple software program or method that can be used to perform such calculations? Thanks in advance, Nancy -- gmx-users mailing listgmx-users@gromacs.org http