[gmx-users] DPPC molecule, grompp, ffgmx.rtp
Tokarev Alexey
xdomovoi at pisem.net
Wed Feb 27 17:18:05 CET 2002
Hallo!
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
${MOL}_gem
,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.
More information about the gromacs.org_gmx-users
mailing list