Samik Bhattacharya wrote:
hi i'm new to gromacs and want to simulate a protein inside a
phospholipid envelop (may be box or dodecahedron). for this i got the
pdb files of both the proteins and the lipids(e.g.POPC, POPE etc). but
i'm facing a lot of problems in generating the topology files as well as
in running grompp as gromacs does not support lipids. i also tested it
by using the lipid.itp file in the top directory. can anyone suggest me
any tutorial where i can find detailed discussion on this matter? and
obviously some help in how to go for it??
Yes, there is a tutorial here:
http://wiki.gromacs.org/index.php/Membrane_Simulations#Running_Membrane_Simulations
-Justin
Thanking you in advance
Shamik
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========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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