On Sat, Jan 02, 2010, bharat lakhani wrote:
> ibelly=1, bellymask=:473-478,
> But have got error stating When igb>0, the moving part must be at the
> start of the molecule. This does not seem
> to be the case here.
The error message is pretty explanatory here. Consider using NAB for GB
simulations where you wish to keep large parts of the system fixed.
Or, you can use restraints (ntr=1) rather than the belly option. Or, you may
be able to rarrange the order of atoms to put the moving portion first.
For a small moving system in a large environment, the first option may be the
best.
....dac
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Received on Sat Jan 02 2010 - 06:30:04 PST
