Re: AMBER: fail of minimization in sander

From: Carlos Simmerling <>
Date: Wed, 15 Jun 2005 07:24:04 -0400

do you have 10-12 parameters in your modified set? if so, follow the
if not, then you are right that something has gone wrong when you
modified the

wendy wrote:

> Dear Ross Walker,
> I try to get the output file by using one of my friends' single PC.
> The output file is listed below. It seems that the way I form my
> ".inpcrd"and ".prmtop" file by modifing the Amber parameters cause the
> minimization problem. Would you give me some suggestions?
> ps: There are a platinum atom in my molecule. And that is why I have
> modify the Amber parameters.
> Thank you!
> Found a non-zero 10-12 coefficient, but source
> was not compiled with -DHAS_10_12.
> If you are using a pre-1994 force field, you
> will need to re-compile with this flag.

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Received on Wed Jun 15 2005 - 12:53:01 PDT
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