[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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