[gmx-users] Dummy Problem.
Mark.Abraham at anu.edu.au
Wed Feb 7 01:08:05 CET 2007
Anthony Cruz wrote:
> Hi Users:
> In my topology before all the bonded information I add the following lines
> with the appropiate numbers:
> [ dummies2 ]
> ;Dummy from funct a
> CON ND OE 1 0.064381
> [ constraint ]
> ; ai aj funct b0
> ND OE 2 0.12032
> The problem is that the dummy colapse with the ND atom during the EM. What
> could be the problem? I need to add the dummies2 section in my topology if
> it is present in the residue topology and it is present in my pdb???
Does it work without the constraint?
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