subject:"\[gmx\-users\] Averege structure"

Re: [gmx-users] Averege structure

2010-07-25 Thread Justin A. Lemkul

pawan raghav wrote: I have done 15ns MD simulations at 300k temp for a protein finally obtained an average structure from g_rmsf. so please tell me is output average structure is a sampled structure? is there no need of remd or sampling further because I got plateau in RMSD calculation at las

[gmx-users] Averege structure

2010-07-20 Thread pawan raghav

I have done 15ns MD simulations at 300k temp for a protein finally obtained an average structure from g_rmsf. so please tell me is output average structure is a sampled structure? is there no need of remd or sampling further because I got plateau in RMSD calculation at last? I have strongly energy