Dear all AMBER users,
I have problem with running addles
my input file is:
file rprm name=(COM.prmtop) read
file rcvb name=(md1.rst) read
file wrmp name=(COM_les.prmtop) wovr
file wcrd name=(COM_les.crd) wovr
action
omas
spac numc=5pick #prt 4756 4788 done
*EOD
in out file i got:
AMBER8 Module: addles
set up Locally Enhanced Sampling topology
add_les> file rprm name=(COM.prmtop) read
The following unit number was assigned 26
| New format PARM file being parsed.
| Version = 1.000 Date = 08/04/08 Time = 10:48:18
Checking topology sizes against compiled limits
Checking topology sizes against compiled limits
add_les> file rcvb name=(md1.rst) 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
Reading box coords from input file
add_les> file wrmp name=(COM_les.prmtop) wovr
add_les> file wcrd name=(COM_les.crd) wovr
The following unit number was assigned 28
add_les> action
File for new topology not specified
Can anyone tell me what is the problem here?
Thank you for all your help in advance!
Best regards
Urszula
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Received on Wed Aug 06 2008 - 06:07:32 PDT
