Dear Jason Swails,
Thanks very much for your explanation of my problem. And now that the problem has been solvated. It is my fault in the operation of doing Nmode calculation. We should delete all the output files generated in the last time when we start calculation again, because some file will be overwritten, but some not, that is the problem. Thanks very much!
All the best,
fancy
-------- Forwarding messages --------
From: fancy2012 <fancy2012.yeah.net>
Date: 2010-08-14 16:31:01
To: "AMBER Mailing List" <amber.ambermd.org>
Subject: Re:Re: [AMBER] problem of NM calculations
Dear Jason Swails,
Thanks very much for your reply! I am sure that all the bugfixes have been applied! And I have mentioned that there was one calculation that was done successfully, but others not in the same computer! It is strange! Are there some other possible problems? Thans very much!
All the best,
fancy
At 2010-08-14，"Jason Swails" <jason.swails.gmail.com> wrote:
>Have you applied all of the bug fixes?
>
>--
>Jason Swails
>Quantum Theory Project,
>University of Florida
>Ph.D. Graduate Student
>352-392-4032
>
>On Aug 13, 2010, at 9:01 AM, fancy2012 <fancy2012.yeah.net> wrote:
>
>> Dear amber users,
>> I have done some entropy calculations using normal mode, but there is a problem that I can not get my *_statistics.out files. It shows in the log file like this:
>> Use of uninitialized value in multiplication (*) at /usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
>> And I also attached the log file for you to check! By the way, there is one calculation that successfully get the *_statistics.out file in the same computer, it is abnormal.
>> Could someone can help me figure it out? Any suggestions will be highly appreciated! Thanks!
>>
>> All the best,
>> fancy
>> <entropy.out>
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>
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Received on Sun Aug 15 2010 - 03:00:03 PDT
