[gmx-users] Fwd: About Justin Lipid-protein simulation tutorial

rama david ramadavidgroup at gmail.com
Wed Jun 27 13:16:04 CEST 2012


Thank you Justin,

But you not added these parameter to the
Umbrella sampling NPT file.
Is any reason not to use these parameter  in Umbrella sampling??

I run the simulation of peptide withought any
refcoord_scaling = com in mdp  file
and now  is it will affect result  significantly??
Is it wrong simulation???

How to check these parameter affect my result sensitivity???

Please give me valuable guidance to solve my query..

With Best Wishes and regards,
Rama David



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