HETATM vs ATOM in .pdb file

From: Andrea Holfelder (andreaholfelder_at_gmx.com)
Date: Wed Aug 31 2011 - 04:56:35 CDT

Hello

 Is there any major difference between HETATM and ATOM in pdb file format ?

 Does the solvent molecules have to be in HETATM for molecular dynamics run ?
 or it does not matter ?

 Do the residues marked with HETATM behave any differently in MD simulation run with ATOM marked residues?

 Is the use of HETATM recommended for solvent molecules ?or not recommended?

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:21 CST