[AMBER] Amber12 installation and testing

From: Rahul Banerjee <rahul.banerjee.chemistry.msu.edu>
Date: Tue, 30 Oct 2012 13:47:09 -0400

Dear Amber users,

We are in the process of installing and testing Amber12.

All the tests passed except these two. Attached is the error message for the tests. Do anybody has any clue?


possible FAILURE: check gcg.dip.o.dif
/opt/software/Amber/12--Intel-12.1.2.273/test/rdc

351c351
< 196 H5'1 DA 7 0.14 0.63 0.96

---
 >       196 H5'1 DA     7      0.14      0.62      0.96
376c376
<       512 H5'1 DA    17      0.13      0.63      0.98
---
 >       512 H5'1 DA    17      0.13      0.62      0.98
---------------------------------------
possible FAILURE:  check crambin_md_qmgb2_aq2.out.dif
/opt/software/Amber/12--Intel-12.1.2.273/test/qmmm2/crambin_2
231c231
<  Etot   =     -1567.735  EKtot   =        97.160  EPtot =     -1664.896
---
 >  Etot   =     -1567.735  EKtot   =        97.160  EPtot =     -1664.895
Thanks in advance.
With best regards,
Rahul
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Received on Tue Oct 30 2012 - 11:30:02 PDT