[gmx-users] Re:united atom

Ali Alizadeh ali.alizadehmojarad at gmail.com
Thu Feb 7 17:51:59 CET 2013

Dear Stephane

>Is it correct for you that in your topolgy file, some atoms have wrong  mass (i.e. C7 and C9 have a mass of 15.035 instead of 14.027) in your DECAN  molecule ? Are they at the end ?

   Yes, They are at the end,


Ali Alizadeh

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