Thanks a lot!
I will try it.
Best,
Ying
On Fri May 23 23:09:39 EDT 2008, Ross Walker
<ross.rosswalker.co.uk> wrote:
> Hi Wang,
>
> Do you mean you want to have some kind of infinite polymer? I.e.
> like a
> covalent surface that is then solvated in water? If so then
> unfortunately
> AMBER can't do this at present and you would have to modify the
> code
> yourself to do it. I believe that CHARMM can probably do it but I
> have never
> tried it.
>
> Good luck,
> Ross
>
>> -----Original Message-----
>> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu]
>> On Behalf
>> Of WANG,YING
>> Sent: Friday, May 23, 2008 6:17 PM
>> To: amber.scripps.edu
>> Subject: AMBER: periodic bondary condition
>>
>> Hi, Dear Ambers,
>>
>> I solvate my specimen in explicit water, like TIP3P box. I let
>> the
>> buffer to be 8 angstrom. If I want to let some of the covalent
>> bond across the periodic boundary condition, could anybody tell
>> me
>> how to acchieve it? Thanks very much in advance!!
>>
>>
>>
>> Best,
>>
>>
>> Ying
>>
>>
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>
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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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Received on Wed May 28 2008 - 06:07:11 PDT
