AMBER Archive (2002)

Subject: iwrap set in sander of Amber6

From: Ling Zhang (lz267_at_nyu.edu)
Date: Thu Jun 27 2002 - 15:43:41 CDT

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.