Re: [AMBER] Joining two files

From: Jacopo Sgrignani <>
Date: Mon, 29 Oct 2012 13:31:06 +0100

> Dear Marco
when you created the prmtop file for graphene and for ligand did you upload a lib files?
Why don't you upload the two lib files also when you combine them to form the complex?
In my experience the one-to-one correspondence is encoded in the lib files.

Moreover you use gaff and then maybe you have to upload also gaff before to form the complex.
source leaprc.ff99SB
source leaprc.gaff



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Received on Mon Oct 29 2012 - 06:00:05 PDT
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