Dear AMBER users
Recently, we want to do very large size protein MD
by using sander5.0, and we are in difficulties for making
TOP & CRD files in xLeap in AMBER 5.0.
When I edited protein files in xLeap, I needed to set
[90Ang. * 90Ang. * 130Ang.] size of periodic boundary box,
but I can't do it. xLeap recognized
not [90Ang. * 90Ang. * 130Ang.]
but [90Ang. * 90Ang. * 30Ang.].
Question
1. Does anyone have any knowledge to solve this problem
of settin periodic boundary box size?
2. If I can solve this problem, does xLeap output
TOP & CRD files over 999,999 atoms ?
thanks in advance
Katsuhiro Watanabe
Hitachi ULSI Systems Ltd.
Received on Wed Sep 27 2000 - 19:54:02 PDT
