[gmx-users] lipid.itp with gromacs3.1.4

Xu Yong yxu at mail.shcnc.ac.cn
Wed Oct 30 06:38:19 CET 2002

hi, all
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!

Best Regard 				

Xu Yong

 Center for Drug Discovery & Design     
 State Key Laboratory of Drug Research
 Shanghai Institute of Materia Medica
 Chinese Academy of Sciences
 294, Taiyuan Road
 Shanghai 200031
 People's Republic of China
 E-mail: yxu at mail.shcnc.ac.cn 
       & yxu at iris3.simm.ac.cn
 Phone: 86-21-64311833-615/222(L)
   Fax: 86-21-64318401

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