AMBER Archive (2003)

Subject: addles

From: Anonymous (mer_at_chem.wayne.edu)
Date: Tue Apr 08 2003 - 11:56:44 CDT

Hi,
   When I exceed a certain number of characters at the "spac" command (all
in one line) in the addles program, I get an error and a topology file is
not created. Shown below are my input file and the error message from
output file. If anyone has encountered this issue in the past and was able
to resolve it, I would appreciate the assistance. Thanks.

INPUT FILE:

file rprm name=(parm.top) read
file rcvb name=(md_eq_2.crd) read
file wprm name=(lesparm.top) wovr
file wcrd name=(lescrd.crd) wovr
action
omas
spac numc=2 pick #mon 18 19 | #prt 613 622 | #prt 540 542 | #prt 520 520 |
#prt 640 640 | #prt 573 575 | #prt 554 554 | #prt 579 579 done
*EOD

ERROR MESSAGE:
.........
add_les> file wprm name=(lesparm.top) wovr
   The following unit number was assigned 28
add_les> file wcrd name=(lescrd.crd) wovr
   The following unit number was assigned 29
add_les> action
add_les> omas
  All masses will be left at initial values
add_les> spac numc=5 pick #mon 18 19 | #prt 613 622 | #prt 540 542 | #prt 520
add_les> 520 | #prt
  no integer