Fwd:

From: manish kesherwani (manish221288_at_gmail.com)
Date: Sun Nov 24 2013 - 06:29:35 CST

Hi sir,
          I am doing membrane protein equilibration using charmm gui input
in default given NAMD parameter in NAMD MD package. I am getting large
approx 2.5 Ang structural deviation in protein backbone in first 250 or 500
ps NVT equiibration followd 10ns NPT equilibration. I did in charmm also i
got 1 Ang structural deviation but my lipid property was not becoming
stable.

 Please suggest me what is problem behind that is it this stuctural
deviation is ok for continuing simulation for reliable results

Thanks & Regards
Manish Kesherwani

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