[AMBER] mdout2pymbar.pl Use of uninitialized value in array element

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From: <psu4.uic.edu>
Date: Thu, 22 Aug 2013 17:45:09 -0500

Dear Amber,

   When we try to transform the amber.out to BAR accetable input using
mdout2pymbar.pl, the following error message pops out:

"Use of uninitialized value in array element at mdout2pymbar.pl line 87,
<FILE> line 8202".

  Could any guru kindly offer some solutions? The amber output file is
attached. Thanks.

  Cheers,
  Henry

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application/octet-stream attachment: AAA_135_RESP_12A_prod_v0_l9_20_FEP.out

Received on Thu Aug 22 2013 - 16:00:03 PDT