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
==================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 14 2004 - 15:53:02 PST
