[gmx-users] [Fwd: g_sas for each residu]

Stephane Abel Stephane.Abel at cea.fr
Mon Dec 13 12:03:52 CET 2010


Hi all,


I would like to use g_sas to compute and give surface area changes of 
each residu of a peptide (25 AA long) and *not* the average per residu 
given by the argument -or) along the simulation time. If yes how ?  Of 
course, i think, i can use an index file, but for 25 AA, it will take a 
long time.....


Others alternatives are welcome :-) .


Thank you in advance for your response

Stephane





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