[gmx-users] (no subject)

ôÏËÁÒÅ× áÌÅËÓÅÊ xdomovoi at pisem.net
Wed Feb 27 16:48:25 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.



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