AMBER: another sander bug?

From: Nursultan Bogatov <sunny_mongolia.hotmail.com>
Date: Fri, 26 Jan 2007 01:43:13 -0500

--- src/sander/mdfil.f
+++ src/sander/mdfil.f
.. -290,7 +290,7 .. integer function iargc_wrap()

    if (numgroup > 1 .and. groups(1:1) /= ' ') then
       ia = 0
- istart = 0
+ istart = 1
       iend = len(groupbuffer)

       do while (istart < iend)

P.S. Although SANDER glorious module, it have a problem too:
FORTRAN, FORTRAN and ... FORTRAN :-)

_________________________________________________________________
Valentine’s Day -- Shop for gifts that spell L-O-V-E at MSN Shopping
http://shopping.msn.com/content/shp/?ctId=8323,ptnrid=37,ptnrdata=24095&tcode=wlmtagline

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 28 2007 - 06:07:31 PST
Custom Search