[gmx-users] membrane protein simulation
samikbhat at yahoo.co.in
Fri May 29 13:16:28 CEST 2009
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??
Thanking you in advance
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