AMBER Archive (2006)

Subject: AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed

From: snowyowls (amberlist_at_gmail.com)
Date: Wed Mar 08 2006 - 01:18:02 CST


dear all amber users:
I run a MM_PBSA caculation and failed
system tell me that
molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed
I have search this message in maillist archive
and found tow mails about this problem
i followed one of them to Changing from xvertex[4] to xvertex[3] on lines
6007 and 6012 of molsurf.c
and recompiled

but problem is still there

and some one suggest me to download bugfix and recompil my amber
but i know i have do it last Xams

who knows what happend and how to fix it ?
thanks!
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu