Hello, I'm still working on the CHARMM ff convertion into the Gromacs standards and I wonder how exactly to convert kcals of CHARMM in to Gromacs' KJoules. I have found 3 different constants (at least?) - officially (SI) : 1 kcal = 4.1868 kJ - but often : 1 kcal = 4.184 kJ - in my graduate courses of thermodynamics = 1 kcal = 4.185 kJ
Who's right? It's probaly a debat with no end and the three answers are probably correct ;-). But which conversion should be applied in our case? Nicolas -- [ Nicolas Sapay Ph.D. ] University of Calgary, Dept. of Biological Sciences 2500 University Dr. NW, Calgary AB, T2N 1N4, Canada Tel: (403) 220-6869 Fax: (403) 289-9311 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
