[gmx-users] lipid.itp and GROMACS versions
feenstra at chem.vu.nl
Fri Sep 5 10:28:01 CEST 2003
Luca Mollica wrote:
> Dear all users,
> I've encountered a problem trying to simulate a protein-membrane simulation.
> Then, not including the lipid.itp file, the grompp operation was no longer
> interrupted and I had success with my simulation.
> Does anyone have ny kind of suggestion for this problem? Could it be related
> to different GROMACS versions? How is it possible to solve the problem??
There have been checks added to grompp which deal with multiple definitions of
atom types and/or atom types devided over separate sections (these generally
occur when using 'lipid.itp'). This was discussed in length on the list quite
a while back, there were some problematic issues that were fixed in grompp.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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