[gmx-users] Fatal error in position-restrained MD
Una Bjarnadottir
una.bjarnadottir at ucd.ie
Fri Mar 4 13:49:55 CET 2005
Dear gmx-users,
I'm doing MD run on a the apoenzyme for PKA and in the
position-restrained MD I got this error;
Fatal error: ci = -2147483648 should be in 0 .. 2703 after only 7 steps
and there were a lot of atoms that moved more than 30 degrees.
I could not find anything on the website on this kind of problem so I'm
hoping someone could help me on this.
Regards, Una
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