[gmx-users] CH3 group and units of POPC?
sudheer.pbm07 at gmail.com
Wed Jul 30 11:20:08 CEST 2008
I want to ask two questions
1.I am interested to calculate electron density of -CH3 group of popc
bilayer, Is it require to consider (CH3)3 surround by N and CH3 at tails
also or consider CH3 at tails only?
2. I have calculated electron density of PO4, water, N(CH3)3 groups of popc,
gromacs calculated the density values in units of kg/m\S3\N, but in
literature the values in the units (atoms/nm3), Can I plot directly the
values with kg/m\S3\N or have I converted this to nm3 ?
Could you clear me regarding this questions
Thanks in advance for help.
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