AMBER Archive (2004)

Subject: Re: AMBER: xleap problem

From: scopio (scopio_at_163.com)
Date: Mon May 03 2004 - 03:51:03 CDT

Dear zou:

It seems the second parameter is wrong. Try to start xleap with ' -f
leaprc.ffXX', where XX stands for 94 or 99

Best!

Liu

hj zou worte:

>Dear Oliver Hucke and D.A.C,
> Thank you for your suggestions.
> YES,The ligand name is wrong.But it doesnot work even after I have changed the name.It doesnot work after I have replaced WATBOX216 by TIP3PBOX,either.
> The following are error messages:
>
>
>>solvatebox OA1 WATBOX216 10
>>
>>
>solvateBox: Argument #2 is type String must be of type: [unit]
>usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
>
>
>> solvatebox OA1 TIP3PBOX 10
>>
>>
>solvateBox: Argument #2 is type String must be of type: [unit]
>usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
>
>
> Any other suggestions?
> Thank you again.
> Best regards
>
>
>
>
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