AMBER Archive (2008)

Subject: RE: AMBER: solvatebox error

From: WANG,YING (wangying_at_ufl.edu)
Date: Thu May 15 2008 - 17:16:17 CDT

Oh, yes, you are right!
I should add the lib files into the scripts files. Thanks a lot!

Best,

Ying

On Thu May 15 17:54:08 EDT 2008, Ross Walker
<ross_at_rosswalker.co.uk> wrote:

> 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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> 

--
WANG,YING
Mechanical and Aerospace Engineering
University of Florida
Office: NEB 139
TEL: 001-352-846-3030

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