iwrap set in sander of Amber6

From: Ling Zhang <lz267_at_nyu.edu>
Date: Thu 27 Jun 2002 16:43:41 -0400

Dear all,

I wondered wether I need to set iwrap=1 for minimization in sander, since I created a solvated system in a trucated octahedral box using the command solvateOct in Leap. Thanks a lot.

Best,
Ling

Sorry for spelling the varialbe name wrong in the previous letter.
Received on Thu Jun 27 2002 - 13:43:41 PDT