Dear Sir/Madam, For orienting the protein and membrane, I have used the .mdp and following topology file:
; ; File 'topol_popc.top' was generated ; By user: jalemkul (502) ; On host: bevany.biochem.vt.edu ; At date: Fri Oct 20 13:26:53 2006 ; ; This is your topology file ; ; Include chain topologies #include "gromos53a6_lipid.ff/forcefield.itp" #include "popc.itp" ; Include water topology #include "gromos53a6_lipid.ff/spc.itp" ; Include ion topologies #include "gromos53a6_lipid.ff/ions.itp" ; System specifications [ system ] 60-Lipid POPC Bilayer [ molecules ] ; molecule name nr. POPC 60 SOL 1536 After running grompp to generate .tpr file I get following error: Program grompp, VERSION 4.5.4 Source code file: gmxcpp.c, line: 248 Fatal error: Topology include file "gromos53a6_lipid.ff/forcefield.itp" not found But in the above topology file, if I change the #include "gromos53a6_lipid.ff/forcefield.itp" line to *;*include "gromos53a6_lipid.ff/forcefield.itp" I get following error: Program grompp, VERSION 4.5.4 Source code file: topio.c, line: 653 Fatal error: Syntax error - File popc.itp, line 1 Last line read: '[ moleculetype ]' Invalid order for directive moleculetype Can anyone help me out...Thanks in adv
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