leap problem about periodic boundary box

From: K. Watanabe. <watanabe-katsuhiro_at_hitachi-ul.co.jp>
Date: Thu 28 Sep 2000 11:54:02 +0900

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.].

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
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