On 13/04/2010 1:49 PM, Jignesh Patel wrote:
Hello,
while I am running grompp command, I am getting following error.
Opening library file /usr/local/gromacs/share/gromacs/top/ff_dum.itp
Generated 837 of the 2346 non-bonded parameter combinations
-------------------------------------------------------
Program grompp, VERSION 4.0.5
Source code file: toppush.c, line: 947
Fatal error:
Atomtype OS not found
Can anyone help me to solve this problem?
Yep, they can point out that atom type OS is not found. Since at this
stage only you know about your topology and system preparation, and more
particularly why you're trying to #include "ff_dum.itp", only you can
reason why. Perhaps sharing some more detail will help...
Mark
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