...but if you're using Amber 11, use sleap rather than tleap and don't
forget to issue the command "set default write14scale on"
On Thu, Aug 26, 2010 at 11:21 AM, ros <ros.servidor.unam.mx> wrote:
> You can use DS Visualizer to copy/paste each disaccharide and manually place
> them around. Then save to PDB and open in tleap to generate parmtop and crd
> files.
>
> Hope it helps!
>
> Rodrigo.
>
> 2010/8/26 case <case.biomaps.rutgers.edu>
>
>> On Thu, Aug 26, 2010, subrata paul wrote:
>>
>> > please give me some detail , how i simulate 10 disaccharide and 200
>> water
>> > molecule.
>>
>> Getting this set up is not something that Amber does with standard
>> commands. You might check out packmol, but you will probably have to
>> write your own program to create the initial structure (in PDB format).
>>
>> ....dac
>>
>>
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Thu Aug 26 2010 - 09:30:05 PDT
