[gmx-users] Re: (A problem with GROMACS)

Marc Baaden baaden at smplinux.de
Sat Apr 8 14:10:38 CEST 2006

Dear Jahanshah,

please address your questions to the Gromacs mailing list.
I believe you have a naming inconsistency for Na. Check
.gro and .top files.


>>> jahanshah ashkani said:
 >> Dear professor Baaden,
 >>   I added 131 Na+ to my .gro and .top files. But I have an error in grompp 
 >>   “WARNING: atom names in .top and .gro don’t match (NA-Na),
 >>   I would be glad if you help me in this case.
 >>   Thank you very much.
 >>   Sincerely yours,
 >>   Jahanshah Ashkani
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.baaden.ibpc.fr
 FAX: +33 15841 5026  -  Tel: +33 15841 5176  ou  +33 609 843217

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