Vitaly V. Chaban wrote:
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?
Any kind of help is highly appreciable.
Post your "ff_dum.itp" here.
Since ff_dum.itp is always read in by grompp, unless it has been severely hacked
(which is possible), it is more likely that there is some inappropriate mixing
of force fields going on here, like including a ligand topology that doesn't
match the force field applied to the rest of the system.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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