[gmx-developers] aliphatic bare carbon

Lakshmi Padmavathi lpulagam at uos.de
Tue Sep 23 16:26:21 CEST 2003


dear gromacs users,

      if a carbon is bare carbon which is not aromatic (aliphatic bare 
carbon), which atom type can i give. there is no atom type regarding 
aliphatic bare carbon. it is very common in many molecules. 
for example if a carbon bonded with four atoms, or three atoms and one double 
bond.

could you suggest me which atome type i should include?


thanks in advance

sincerely,





More information about the gromacs.org_gmx-developers mailing list