Hi,
It's hard to tell just from the output you give. Can you check if your
crd file is not corrupted? Here's some sample input. Hope this will help.
~
file rprm name=(<regular top>) read
file rcrd name=(<regular crd>) read
file wprm name=(<les top>) wovr
file wcrd name=(<les crd>) wovr
action
~
spac numc=2 pick #mon 27 32 done
*EOD
Guanglei Cui
SUNY at Stony Brook
-----Original Message-----
From: Eoin Galligan [mailto:paxeg_at_nottingham.ac.uk]
Sent: Wednesday, July 04, 2001 9:19 AM
To: amber_at_heimdal.compchem.ucsf.edu
Subject: addles
Hi
I am trying to set up parm and crd files for a LES, simulation. However,
addles does not write the parm or crd files. The output from addles is
below. Any ideas where I'm going wrong?
Regards, E.Galligan
output file:
add_les> ~
add_les> ~ LES input for DHFR-MTX Simulation
add_les> ~
add_les> ~ first specify input top file
add_les> ~
add_les> file rprm name=(dhfrmtx_3.top) read
The following unit number was assigned 26
Checking topology sizes against compiled limits
Checking topology sizes against compiled limits
add_les> ~
add_les> ~ then specify coordinates
add_les> ~
add_les> file rcvb name=(dhfrmtx_3.crd) read
The following unit number was assigned 27
Coords, velocities and box from unit 27
Reading coordinates from input file
Reading velocities from input file
crd file end
Received on Wed Jul 04 2001 - 07:11:51 PDT
