[gmx-users] name a molecule

Jian Zou zouj01 at mails.tsinghua.edu.cn
Wed May 18 03:25:24 CEST 2005

Hi all,

In an itp file, moleculetype section, when naming a molecule, should I avoid 
using the words for atomtype in atp files or for residuetype in rtp files?

Are these words reserved?

If I name a molecule with the same word for some atomtype, will this cause 
some conflict?

Thanks for your advices in advance.


Jian Zou

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