[gmx-users] How does x2top recognize between alkane C and alkene C

sridhar dwadasi sridhar.dwadasi at gmail.com
Thu Jul 16 06:47:59 CEST 2015

Thank you for the response.
In case of an all atom representation, the connections are different. What
about a united atom representation? The g_x2top supports Gromacs 53a5
forcefield right?
Can we get a topology with x2top only for an all atom representation? Or is
there anyway to get it for gromos or opls ua ?

Thanks and Regards

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