[gmx-users] DPPC molecule, grompp, ffgmx.rtp

Tokarev Alexey xdomovoi at pisem.net
Wed Feb 27 17:18:05 CET 2002

I'm simulating a DPPC molecule in water. But
unfortunatly there is something wrong I don't
understend. Trying grompp with the line 

grompp -f em -p ${MOL}.top -c ${MOL}_w.gro -o

 ,I receive wornings like "Invalid directive
bondedtypes", "Invalid directive ABU", "Invalid order
in directives atoms" and so on. My .top file contains
include-string "include ffgmx_.rtp", and in ffgmx_.rtp
[bondedtypes], [ABU],... are. What's happen? Can you
help me? Has somebody ever met this problem?

Thank you.
Tokarev Alexey, Moscow, Russia.

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