[gmx-users] rephrase my question about torsional restraints

[Anton Feenstra]

David Mobley wrote:
> Is there another way to merge two topology files into one? Currently
> I'm assuming I'll have to manually (or with a script) put the ligand
> information into the protein topology file, but if there's a better
> way, I'm open to suggestions.

You'll need a script (or, as David noted, an rtp entry for your small 
molecule). I've posted a script on the contributions page somewhere, 
named 'renumtop' (or similar). Using that as a framework, it should be 
trivial to make a 'mergetop', although I must guess that someone would 
already have something like that lying around...

-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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