AMBER Archive (2003)

Subject: mm_pbsa Stop at statistics

• Next message: caldwell_at_heimdal.compchem.ucsf.edu: "UCSF Network changes to affect Amber Web site."
• Previous message: Peter Varnai: "octahedral volume"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Hi, I have finished the GB calculations on the Com, Rec, and Lig. The
statistic.in file was generated, but the program stopped here. The last line
in my log file were:

    Processing GB GBTOT
       doing 1 GB GBSOL
       ......
=>> Calc delta

What the problem it is? How can I start the statistic calculation from here?

I run statistic calculation like this:
mm_pbsa_statistics.pl calc delta En_statictics.in En_statistics.out
I got the message:
Illegal modulus zero at /amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 389.

I appreciate any help. Thanks.

William

-------------------------
William Wei
Faculty of Pharmacy
19 Russell Street
Toronto, ON. M5S 2S2
Tel: 1-416-946-8469
Fax: 1-416-978-8511
Email: william_at_phm.utoronto.ca
       william.wei_at_utoronto.ca

• Next message: caldwell_at_heimdal.compchem.ucsf.edu: "UCSF Network changes to affect Amber Web site."
• Previous message: Peter Varnai: "octahedral volume"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]