AMBER: Nmode problem

From: Wu Yingliang <wuyliang.public.wh.hb.cn>
Date: Fri, 28 Nov 2003 21:52:31 +0800

Dear Amber users,

I am using amber7 in Red Hat Linux 9.0. There are something wrong with Nmode. When I test Nmode in $AMBERHOME/test directory, some possible failures appear. At first, I did not care about it. However, examples of "Nmode" calculation for estimating entropies by MM-PBSA can not be correctly run. In addition, I can not find AMBER 7.0 Bug Fixes from Amber web. Some relative informations are as following:

[whu.localhost test]$ make test.nmode
cd nmode; ./Run.ala-dipeptide
  
NMODE: find normal modes
diffing vibs.out.save with vibs.out
PASSED
==============================================================
  
NMODE: find Langevin modes
diffing lvibs.out.save with lvibs.out
PASSED
==============================================================
diffing lmode.head.save with lmode.head
PASSED
==============================================================
  
cd newton_raph; ./Run.newton_raph
diffing nmd_min.out.save with nmd_min.out
possible FAILURE: check nmd_min.out.dif
==============================================================
cd quasih; ./Run.quasih
 Title in input file:
 rdparm transformed trajectory
  
diffing quasih.out.save with quasih.out
possible FAILURE: check quasih.out.dif
==============================================================
[whu.localhost test]$


Looking forward to help! Thanks a lot in advance!


Best Regards,

Wu Yingliang
2003-09-19
==================================
College of Life Sciences
Wuhan University
Wuhan 430072
China
Email: wuyliang.public.wh.hb.cn
==================================



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Received on Wed Jan 14 2004 - 15:53:02 PST
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