AMBER Archive (2004)

Subject: AMBER: xleap problem

From: hj zou (hjzou_at_iris3.simm.ac.cn)
Date: Sun May 02 2004 - 08:49:40 CDT

Dear amber users£¬
  I run into a problem when I try to optimize a ligand in water.
  in XLEAP, I used the following commands:
> source leaprc.gaff
----- Source: /userdata/cluo/amber7/amber7/dat/leap/cmd/leaprc.gaff
----- Source of /userdata/cluo/amber7/amber7/dat/leap/cmd/leaprc.gaff done
Log file: ./leap.log
Loading parameters: /userdata/cluo/amber7/amber7/dat/leap/parm/gaff.dat
> mod=loadamberparams frcmod
Loading parameters: ./frcmod
Reading force field mod type file (frcmod)
> loadamberprep lig.prep
Loading Prep file: ./lig.prep
> solvatebox MOL WATBOX216 10
solvateBox: Argument #1 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
>
   Why?What should I do?
   Any suggestions are highly appreciated.
best regards

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