Re: AW: Bulk properties of polymers

From: Sindu (sindu_at_serc.res.in)
Date: Wed May 08 2013 - 02:33:18 CDT

Dear Norman Geist,I want to simulate a box of specific volume containing monomers which are randomly distributed. Then I have to pull or push the box with a certain force in a particular direction.
I have seen this kind of simulations being performed using other MD packages. But in NAMD I have not seen such simulations being done by anyone.
So, I am not sure if it can be done. Also not getting a clue how to do it. If you give me some guidelines on how to do it, it will be extremely useful.

Regards,
B.S.Sindu

On 05/08/13 12:52 PM, Norman Geist wrote:
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> Hi Sindu,
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> I don’t see a reason why you wouldn’t be able get the required
> data out of NAMD simulations of your polymers. If you have doubts, please
> explain more.
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> Regards
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>
> Norman Geist.
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> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von Sindu
>
> Gesendet: Mittwoch, 8. Mai 2013 06:34
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> An: namd-l_at_ks.uiuc.edu
>
> Betreff: namd-l: Bulk properties of polymers
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>
>
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> Hi all, Can
> we determine the bulk properties (like Young's modulus, shear modulus) of
> polymers using NAMD?
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>

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