[gmx-users] monitoring the dynamics of proline

[Dallas B. Warren]

Jayanat,
 
>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. 

g_angle
http://wiki.gromacs.org/index.php/Manual:g_angle_3.3.2

Catch ya,

Dr. Dallas Warren
Lecturer
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9524
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When the only tool you own is a hammer, every problem begins to resemble
a nail.