[gmx-users] monitoring the dynamics of proline

jayant_jacques jayant_jacques at rediffmail.com
Tue Jun 26 04:58:13 CEST 2007


Hi! 
I am looking for the precise time period wherein proline flipping occurs during my simulations. Is there any inbuilt programs in GROMACS that will allow me to monitor/plot the cis-trans isomerisation of proline. 
Thanks
Jayant James

Jayasundar Jayant James
Postdoc,
Department of Veterinary and Comparative Anatomy, Pharmacology and Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
http://www.chick.com/reading/tracts/0001/0001_01.asp
Phone office:335-5937, Cell:1-509-432-5790
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