Re: [AMBER] water mediated H-Bond

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Tue, 1 Mar 2011 23:47:14 +0530 (IST)

Thans to reply
But sorry how to strip box to make compatible with new topology?

>> Convert this to pdb file, modify pdb retain only 10 water and then use it to
>> generate new topology file in tleap.
>
> Presumably there is no box.
>
>> When I use this topology file to visualize above processed trajectry file
>> structure was not proper there is some long bonds.
>
> Maybe there's a box in mdcrd? If so, you would need to strip
> it to be compatible with the the new prmtop.
>
> Bill
>
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Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Tue Mar 01 2011 - 10:30:05 PST
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