[gmx-users] lipid.itp with gromacs3.1.4
yxu at mail.shcnc.ac.cn
Wed Oct 30 06:38:19 CET 2002
Does anyone use Gromacs-3.1.4 to do some lipid/protein simulation?
When I do grompp with only popc128a.pdb system, I encounter a Fatal error: Found a second directive: ./lipid.itp line 9.
this line is the first line of lipid [ atomtypes ] option : "LO *** ** ** A *** *** OPLS"
Does anyone encounter the same problem, and how to solve it? Would you like give me the system.top, lipid.itp, ffgmx.itp ffgmxnb.itp and ffgmxbon.itp files? which files should be included and which lines should be deleted.
any reply would be appreciated!
Center for Drug Discovery & Design
State Key Laboratory of Drug Research
Shanghai Institute of Materia Medica
Chinese Academy of Sciences
294, Taiyuan Road
People's Republic of China
E-mail: yxu at mail.shcnc.ac.cn
& yxu at iris3.simm.ac.cn
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