[AMBER] Charmm-gui conversion

From: mohammad r <mohammad.r0325.yahoo.com>
Date: Wed, 9 Dec 2015 16:02:20 +0000 (UTC)

Hi everybody,

I have generated a water-proteinsystem by charmm-gui (solvator section). I converted the pdb file to amberformat by using this command:” charmmlipid2amber.py –Iinput_structure.pdb [-c substitution_definitions.csv] \ -o output_structure.pdb”(mentioned in amber tutorial “http://ambermd.org/tutorials/advanced/tutorial16/”)but when I load the pdb file in tleap and I want to save the amber top and crdfiles I got the error that some atoms does not have a type in amber. Now I wantto know that is it ok to convert just the pdb file? Is this way of conversioncorrect? 

Thank you, Mohammad.
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Received on Wed Dec 09 2015 - 08:30:03 PST
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