hi,
for example you have RMSD calculation data (reference is xray). you define structures having rmsd smaller than 2.0 angstrong as native. This command calculate the fraction of native structures.
example of melting curve is in igb8 paper
http://pubs.acs.org/doi/abs/10.1021/ct3010485?journalCode=jctcce
Hai
> On Jul 3, 2015, at 12:16 AM, MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com> wrote:
>
> Dear Amber users
>
> Would you like to elaborate the meltcurve ( 29.11.13. page no 602 of
> AmberTools 15 ) of analysis command in cpptraj
>
> By typing help giving following output that is not clear to me about cut
> and what will be the data input for meltcurve analysis.
>
> help meltcurve
> <dset0> [<dset1> ...] [out <outfile>] [name <outsetname>] cut <cut>
> Calculate melting curve from input data sets assuming a simple 2-state
> transition model, using data below <cut>as 'folded' and data above <cut>
> as 'unfolded'
>
> Thanks in advanced
> Regards
> Rahman
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Received on Thu Jul 02 2015 - 21:30:02 PDT
