[gmx-users] Error found on grompp - energy minimization

Mark Abraham Mark.Abraham at anu.edu.au
Mon Aug 29 13:22:53 CEST 2011

On 29/08/2011 9:18 PM, ITHAYARAJA wrote:
> Dear sir,
> I struck with the following error when i perform energy minimization. 
> I unable to understand what did it mean? please make me clear.
> So kindly do the needful.
> Fatal error:
> Atomtype CR1 not found

One of your molecules is trying to use an atomtype that isn't defined in 
your force field. However we can't guess why without a lot more 
information. See http://www.gromacs.org/Support


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