AMBER: Problem with sander test suites in solaris !

From: Pradipta Bandyopadhyay <>
Date: Fri, 2 Dec 2005 19:56:05 +0530 (IST)

I am using AMBER7. compiled in solaris 9.0 with g77 and gcc. I commented the
compilation of leap and the files in mm_pbsa, since they had problems.

(uname -a gives the details of the machine
SunOS biotech 5.9 Generic_112233-12 sun4u sparc SUNW,Sun-Blade-2500)

However, when I run the test suites for SANDER I am getting errors for
cytosine, tip4p, tip5p (I stopped at tip5p).

For cytosine I am getting the error

Coordinate resetting (SHAKE) cannot be accomplished.

For tip4p

vlimit exceeded in each step

It seems some problem in SHAKE.

(I saw one message posted in July, 2005 had similar problem - but I didn't
get any reply to that in the archive).

Any help would be appreciated.


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