Baic MD simulation

From: Victor Pham <>
Date: Tue 02 May 2000 19:02:44 -0400


I am trying to see basic molecular dynamics of a CO2 molecule in the
vicinity of a PMMA - 20mers (polymethyl methacrylate). In leap, I open
up my 20mers, and then import a CO2 molecule that I have previously
made. This whole system is then saved into prmtop and inpcrd files, and
then minimized by sander. But then 'segmentation fault' results. In
checking the output info., the energy is way too high, and VDW
parameters are bad (just ******** show up in this field). Do you know
what I am doing wrong?



Victor Pham
Cornell University
Chemical Engineering
Received on Tue May 02 2000 - 16:02:44 PDT
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