trajectory (coordinates or velocity) file format

FORMAT(20A4) ITITL


ITITL : the title of the current run, from the AMBER
parameter/topology file


The following is sequentially dropped for each snapshot of the
trajectory:


FORMAT(10F8.3) (X(i), Y(i), Z(i), i=1,NATOM)


X,Y,Z : coordinates or velocities


IF periodic box [4.0 and previous: only if constant pressure]:


FORMAT(10F8.3) BOX(1), BOX(2), BOX(3)


BOX : size of periodic box



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Updated on January 5, 2000. Comments to case@scripps.edu