Hello Carlos,
To convert a file from .nc to mdcrd I use following cpptraj command
trajin md.nc 1 10000 1
trajout md.mdcrd crd
Previosuly for other systems I received appropriate mdcrd files. However, upon increasing the size of system to 37500 atoms I have found weired cooridnates since box size is 75*75*75. The coordinates are not limited to the box size.
Cpptraj Generated trajectory
-416.730-101.326 -63.637-416.090-100.840 -62.850-416.804-100.678 -64.539-416.217
-102.181 -64.139-418.185-101.675 -63.175-418.079-102.236 -62.258-418.574-102.283
-63.949-419.059-100.475 -62.950-418.942 -99.856 -63.824-418.632 -99.829 -61.775
-417.848 -99.261 -61.895-420.581-100.802 -62.843-420.865-100.998 -61.806-421.155
-99.857 -62.993-420.970-101.527 -63.589 -50.998 -82.641 809.933 -51.440 -83.007
808.977 -51.467 -81.702 809.972 -51.498 -83.283 810.656 -49.496 -82.612 810.096
What could be a possible solution for the conversion to .mdrcrd file??
Your help will be highly appreciated
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Received on Sun Nov 12 2023 - 14:30:03 PST
