AMBER Archive (2008)

Subject: RE: AMBER: solvatebox error

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu May 15 2008 - 16:54:08 CDT

Hi Wang,

It looks like solvents.lib was not loaded. What were the sequence of
commands you gave to leap? Did you source the leaprc.GLYCAM_06 file? - This
should have loaded solvents.lib as part of the start up.

All the best
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of WANG,YING
> Sent: Thursday, May 15, 2008 2:47 PM
> To: amber_at_scripps.edu
> Subject: AMBER: solvatebox error
>
> Hi, Dear all,
> I meet a problem when I try to solvate my system inside tip3p box.
> I use glycam06b.dat as the forcefiled file.
>
> The error message is as below:
>
> solvatebox cell TIP3PBOX 8.0
> solvateBox: Argument #2 is type String must be of type: [unit]
> usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
>
>
> Could anybody tell me why? Thanks a lot!!
>
>
> Ying
>
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