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<DIV><FONT face=Arial size=4><PRE>Dear Gromacs users,</PRE><PRE> </PRE><PRE>I try to run a molecular dynamics simulation of a polyoxometalate. </PRE><PRE>I want the molecule to behave as a rigid body except for one peptidic chain bound to it. To achieve this, I constrain all the relative distances between every possible couple of atoms in the structure. I add the constraints to my topology file (*.top). After creating the *.tpr file, the problem is that "mdrun" gives several LINCS WARNINGS and finally crashes.</PRE><PRE>I do not know what I am doing wrong as every constraint is correct when used independently.</PRE><PRE>I would be very grateful if anyone could give me a clue as to what causes the problem.</PRE><PRE> </PRE><PRE>Thank you</PRE><PRE>Eva</PRE></FONT></DIV></BODY></HTML>