19 Dec
2013
19 Dec
'13
10:14 a.m.
<<apologies for duplicate - I hit 'send' by mistake''>>
Dear all,
I have a large number of homology models to produce which have ~90 - 95% homology with 10 high quality crystal structure templates.
Once I create my models I will be using GROMACS to relax the structure before comparing various properties of the models.
I wonder, is it a reasonable approach to energy minimize the templates and use these as templates for producing models thereby reducing the need for energy minimization on (a much larger number of) models?
Your opinion would be appreciated.
Best wishes, Dermot