Re: [AMBER] Problems during solvation of molecule from Protein Data Bank

From: Carlos Simmerling <>
Date: Mon, 12 Dec 2016 19:14:47 -0500

It depends on what you're trying to do. Do you want to simulate the
spermine too, or just the DNA? If spermine, you'll need to locate or
develop parameters for it. Make sure to work through the tutorials and
understand what you're getting into, reading the JACS article for that
crystal structure to understand the role of the spermine.

On Dec 12, 2016 4:52 PM, "The Cromicus Productions" <> wrote:

> Hi everyone,
> I'm trying to solvate the molecule 1S2R in tLeap but I'm getting the
> following errors:
> FATAL: Atom .R<SPM 25>.A<N1 1> does not have a type.
> and others just like that one. I believe it is due to the atoms
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Received on Mon Dec 12 2016 - 16:30:02 PST
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