On Fri, Jun 07, 2013, Amparo Garcia Lopez wrote:
>
> /usr/local/amber11/bin/pmemd -O -i min1.in -o TSL2_1N8R.wat.min1.out -inf TSL2_1N8R.inf -c TSL2_1N8R.wat.crd -ref TSL2_1N8R.wat.crd -r TSL2_1N8R.wat.min1 -p TSL2_1N8R.wat.top -x TSL2_1N8R.wat.min1.x -e TSL2_1N8R.wat.min1.ene
If the TSL2_1N8R.wat.min1 file created here is empty, you need to find out
why--i.e. everything else beyond this will fail, as you point out in your
email. If the TSL2_1N8R.wat.min1.out is indeed uninformative, set maxcyc to
10 and ntpr=1 and try to get more information. If that doesn't work, try
running sander instead of pmemd...sometimes with odd errors one program or the
other can give better error reporting.
...good luck...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 07 2013 - 12:30:02 PDT
