AMBER Archive (2001)

Subject: addles

From: Eoin Galligan (paxeg_at_nottingham.ac.uk)
Date: Wed Jul 04 2001 - 08:18:59 CDT

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