[gmx-users] Re: x2top, error generating topology
vvchaban at gmail.com
Wed Apr 9 21:19:09 CEST 2008
> [ bondtypes ]
> ; i j func b0 kb
> C C 1 0.14210 478900.
> [ angletypes ]
> ; i j k func th0 cth
> C C C 1 120.000 397.480
> [ dihedraltypes ]
> ; i l func q0 cq
> C C 1 0.000 167.360
> to ffgmxbon.itp.
>>that should be ffencadvbon.itp I presume?
It did not help. The problem persists with the same output.
I actually try to run that example: http://www.cs86.com/CNSE/SWNT.htm,
it had been completely ok in ver. 3.3.1 before I upgraded...
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