[AMBER] Can you use cholesterol lipid 11 parameters and lipid 14 lipid parameters?

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: Jonathan Gough <jonathan.d.gough.gmail.com>
Date: Thu, 20 Nov 2014 15:06:19 -0500

Hi All,

I was wondering, can you use the cholesterol parameters from lipid 11
alongside the lipid 14 parameters? (I am assuming there still aren't
any lipid 14 cholesterol parameters)

If so (and it's not ill advised), is there something specific I need
to do in leap to make sure lipid 14 parameters are used for the lipid?

If it is better to generate parameters (non GAFF) for cholesterol, can
someone comment on the what level of QM aught to be used (via
Paramfit) to best match the lipid 14 parameter set?

Thanks,
Jonathan

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 20 2014 - 12:30:02 PST