[gmx-users] Re:Re: 1-4 scaling problem?

Mon May 26 17:40:25 CEST 2008

I have tried a simulation with rvdw 1.2 and 1.0 rlist. The bilayer area per lipid for dmpc is still 54A2. the order parameters are also in the range 0..05-0.20 Scd for the time average calculation. Is my bilayer situation unreasonable? The experimental dmpc area per lipid at 300K is 59A2. I have posted my .mdp and .itp files previously. 

Awaiting your suggestions

Ms. Anindita Gayen

C/O Dr. Chaitali Mukhopadhyay
Senior Research Fellow

Department of Chemistry

University of Calcutta

92, A. P. C. Road

Kolkata-700 009

India

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