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question about "rmsf-residue.str"
#19228 11/03/08 05:40 PM
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Mandy Offline OP
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Could the str file be used to calculate the rmsf of the slovent(surrounding water molecules)?

I'm trying to use the script to calculate the rmsf of the surrounding solvent, but I have gotten all zero in the output dat file.

could anybody help me out?

many thanks.

Mandy

Re: question about "rmsf-residue.str"
Mandy #19229 11/03/08 07:17 PM
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rmv Offline
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That script is not appropriate for solvent analysis, for multiple reasons. COOR ANAL and COOR HBOND (both described in corman.doc) might be more reasonable places to start for solvent analysis. See also shell.doc, and the related time series types described in correl.doc; the .around. atom selection (select.doc) can also be quite useful.

Re: question about "rmsf-residue.str"
rmv #19230 11/03/08 08:31 PM
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Mandy Offline OP
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Dear rmv,

thanks for your reply.
it helps me out.


Moderated by  lennart, rmv 

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