[gmx-users] pH

Kia.Balali-Mood@ed.ac.uk Kia.Balali-Mood at ed.ac.uk
Tue Jan 13 11:02:01 CET 2004

Quick question..even though i've been using GROMACS for a  while now!
Is there anyway I can calculate the pH of a peptide in GROMACS???? 
Pretty sure there's nothing about that in the manual.

Thanks in advance
PS. Are there any plans to setup a GROMACS users symposium,say in Gronigen, 
where it all started! There are quite a few users now and will def. help the 
exchange of ideas etc.

Kia Balali-Mood
Laboratory of Membrane Biophysics
Division of Pre Clinical Veterinary Sciences
University of Edinburgh
College of Medicine & Veterinary Medicine
The Vet School
Edinburgh, EH9 1QH
Tel. +44 (0)131 650 6142
Fax. +44 (0)131 650 6576

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