[gmx-users] error

Xavier Periole x.periole at chem.rug.nl
Tue Jul 20 19:37:40 CEST 2004

Dinesh Pinisetty wrote:

>Hi all,
>         I was trying to simulate DPPC membrane with water downloading the
>pdb file from Dr.Tielmans website,I was using ffG43a1 force field.I have
>downloaded lipid.itp and dppc.itp files from his site.I have added all the
>nonbonded parameters&pair types in ffG43a1nb.itp,all
>atomtypes in ffG43a1.atp from lipid.itp.Even I added #include dppc.itp and
>lipid.itp along with ffg43a1.itp file into the incomplete .top file I got
>by running pdb2gmx.I created .gro file by using editconf.
>      When I run grompp it gives me error that atomtype 'LC2' is missing
>but I can see that atomtype,in ffG43a1.atp and all its links in
>ffG43a1nb.itp files.
>      Where is the mistake,in what I did.Is there any other file to which I
>should add anything.
> Please anyone of you help me in this regard.I will grateful to you
>all.Thanks in advance.
>Thanking you,

Atom types are defined in ffG43a1.atp



   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole

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