Thanks' for everyone who helped me to build the pure water box.so I dissolve one water molecule in a water box, and was able to save the top. and coord. files
But I need another help, I made a minimization to the whole system, and MD simulation, then I tried to do Radial Distribution Function by using the ptraj. I got an error massage for my topology file
PTRAJ: p.top
Error in Readparm :..........failed to find ANGLES_INC_HYDROGEN
PLEASE any suggestion to solve that problem.
Rasha
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Received on Fri Oct 01 2004 - 15:53:01 PDT
