Dear gmx-users, (This is not related to my previous question about the failure of the simulation. Now I guess that there are some technical problems in our cluster system.)
Hello gmx-users, I am not a quite new user, but still don't know many many thing. Planning an experiment I hope to listen to your advices. Recently I plan to perform free energy calculation to test the stability of a loop in a protein. To do so, I will select two atoms; one in the backbone atom of the loop and the other in the backbone of the protein nearby the loop region. Then, those sites are connected by a [ bond ] and the spring constant will be changed from 0 to 100 as lambda changes from 0 to 1. (The equilibrium length is fixed to 20 A.) I am wandering whether this simulation will be generally accepted or not. Thank you for your attentions. -- -------------------------------------------------- 'God used beautiful mathematics in creating the world.' -Paul Dirac 'But he created too many objects.' -Seungpyo Hong Seungpyo Hong Master student at PBIL(Protein BioInformatics Lab.) in KAIST, Daejeon Korea Tel. (82)-18-372-2468 [EMAIL PROTECTED] [EMAIL PROTECTED]
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