Re: [AMBER] Wrong or no center in RdPar

From: Fatemeh Sadat Alavi <f_alavi.sbu.ac.ir>
Date: Sat, 06 Feb 2016 12:35:38 +0330

 Hi again
I can almost solve this problem, but when finished my calculation, my
structure has a lot of rotation!
I put missing parameter from this site:
http://www.pharmacy.manchester.ac.uk/bryce/amber
but I don't think that is ok!
what can I calculate missing parameter(frcmod file) for the metal complex?
I studied
http://upjv.q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#9
but I don't have unknown force field parameters.
please help me and introduce me a tutorial about it.
 
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Received on Sat Feb 06 2016 - 01:30:03 PST
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