AMBER Archive (2006)

Subject: AMBER: Amber 9, sander imin = 5, -y flag

From: z3020110_at_student.unsw.edu.au
Date: Sun Apr 30 2006 - 20:08:44 CDT

I am having problems with sander when imin = 5. Specifically, the -y (inptraj)
flag isn't recognised. i.e.

     mdfil: Error unknown flag: -y

     usage: sander [-O|A] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
                   [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
rstdip -mdip mddip -ng numgroup -remlog remlog -rem [0|1|2] -inf mdinfo -radii
radii]
Consult the manual for additional options.

The usage described in the manual is inconsistent with this in that the -y flag
appears to be supported.

Is this a bug or just an error of mine?

Cheers,

Francis Peters
University of NSW
Sydney, Australia

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu