Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Mon Feb 17 10:22:48 CET 2003
since I'm writing the code to include the Urey-Bradley term into GROMACS,
I need to test it very often and I have to compile the whole program very
often too. It takes a lot of time. Is there anyway to save time?
Another question: I would like to have the total potential energy at every
step on the trajectory. Is there anyway to obtaine that?
Thanks in advance.
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