<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi everyone!</DIV>
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<DIV>I was able to generate a pdb file in which the hydrogens for the molecule are already included (that way I avoided using the hdb file for the pdb2gmx). However, when I checked the posre.itp, the some of the restraints were applied to the hydrogens. Is this correct because I am not sure since I what I know is that the restraints should be applied to heavy atoms.</DIV>
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<DIV>Are the positional restraints needed only for the equalibration step but not for the production runs in normal MD simulations. Thanks. </DIV></td></tr></table>