Hello everyone,
Each time I run ptraj calculations after loading the mdcrd files a warning
appears which says
WARNING in checkCoordinates(): The actual number of atoms (99999)
does not match the expected number of atoms (167571) in (k1_wat.pdb)
With this version of the code, this will likely lead to program failure!!
But there is no program failure and the calculation ends in the expected
manner.
Could anyone please advise me whether it is alright to continue with the
calculations or there is something I have done wrong.
Best Regards
Sajeewa
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Received on Wed Jun 15 2011 - 09:30:03 PDT
