[gmx-users] .top files

[Pedro Alexandre Lapido Loureiro]

Hello,

is it possible to use a top file containing more than one molecule?
For example,

     [moleculetype]
     ;Name       nrexcl
     DPPC          3
     HAL           3

I have built one. Grompp accepts every section (moleculetype, bonds, pairs etc)
but crashes with:

Fatal error: Moleculetype DPPC contains no atoms

Thanks,
Pedro.

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Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil