I am trying to obtain the component frames from a dcd production trajectory in charmm_45_lite, a task that
that I have performed successfuly with previous charmm versions.
In this case I obtain an error message (illegal seek in some fortran routine). I have attached a screen snapshot
of the error (see file error1), the input file (dcd2crd1.inp) and the output file (slurm_6492870.out) in a zipped directory.
Thanks in advance for your help,
Daniel Sussman Villaverde
USC, Spain

Attached Files
charmm.zip (191.32 KB, 173 downloads)
SHA1: 4bb2176cf1d73874a6f39894878ade0042a41cd1