[gmx-users] Regarding error.

Javier Cerezo jcb1 at um.es
Mon May 21 11:30:10 CEST 2012

Hi Seera

As the error message is telling you, the molecule type CU1 is defined 
more than once along your topology. Check it, locate the [ moleculetype 
] sections and verify that CU1 is defined only once. If that does not 
solve the problem, you can post you topology here so that we can try to 
identify the source for the error.


El 21/05/12 10:55, Seera Suryanarayana escribió:
> Dear all gromacs users,
>                                    I tried the grompp and i got the 
> following error.
> Fatal error:
> moleculetype CU1 is redefined.
> Is there any explanation why is thid happening?
> I would appreciate any help. Iam new in using MD and gromac in particular.
> Suryanarayana Seera,
> PhD student,
> HYderabad,
> India.

PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tel: (+34)868887434
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