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Structure Factors
#15267 08/17/07 01:01 PM
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mzzt Offline OP
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Dear All,

I wish to calculate the neutron and x-ray structure factors for my trajectory files as is reported in "Experimental Validation of Molecular dynamics simulations in lipid bilayers: A new Approach, Biophys J, 2005".

I am unable to understand the approach that is followed to write the program using charmm.

I shall be thankful if someone could kindly help me in this regard.

Regards,
MzZt

Re: Structure Factors
mzzt #15268 08/17/07 02:44 PM
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You have to write your own program, CHARMM does not do this calculation directly as far as I know.


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Re: Structure Factors
lennart #15269 08/17/07 04:13 PM
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You may wish to try contacting the authors of the paper.


Moderated by  BRBrooks, lennart, rmv 

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