[gmx-users] non-native contatcs
bipinelmat at gmail.com
Wed Jan 15 13:11:37 CET 2014
First define and calculate the native contacts (contacts which were present
in native reference structure and exist for significant amount of time
during simulation). Then you can identify the contacts which exist for
significant amount of time but were not present in native reference
structure (which may correspond to non-native contacts).
On Wed, Jan 15, 2014 at 1:05 PM, suhani nagpal <suhani.nagpal at gmail.com>wrote:
> I'm studying protein unfolding by CTMD and REMD simulations to capture the
> intermediate states.
> I want to calculate the non-native contacts formed during the intermediate
> Suggestions please
> Proteomics and Structural biology Lab
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*--------------------Thanks and Regards,Bipin Singh*
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