[gmx-users] enegry minimisation

sonali dhindwal sonali11dhindwal at yahoo.co.in
Fri May 21 07:37:10 CEST 2010

hello Jusitn,
Thanks for your reply,,
I am sending you the link,
so that you can see the changes in the protein, I have specifically
shown that part of the protein, where I am seeing changes,


beeta sheets are of the protein after EM, and magenta are that of the
refrence structure, you can see how this time,I am surprised myself
that sheets have become longer than the refrence structure.
I have corrected that       define      =  -DPOSRES also.
and have taken that posres file generated by pdb2gmx.is this the problem of the visualiser I m using, I am using pymol for it

Sonali Dhindwal

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