Hello amber users.
I e-mailed earlier about converting the trajectory history (mdcrd)
to the arc file format familiar to Insight. Thank you to those who
responded.
I had one more question about determining the percentage of secondary
structure over time from the mdcrd file. The only way I can think of
doing it is by converting the coordinates at each step to pdb then using
dssp to create a hoop load of files with the secondary structure for each
one. Is there a way of using ptraj or carnal for this purpose?
Many thanks
-Ian
|---------------------------------|\
| Ian Bates |\
| Molecular Biology and Genetics |\
| University of Guelph |\
| Guelph, Ont., Canada N1G 2W1 |\
| Email: ibates_at_uoguelph.ca |\
| Tel: (519)824-4120 ext. 6510 |\
| FAX: (519)837-2075 |\
|---------------------------------|\
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Received on Tue Mar 26 2002 - 11:49:48 PST
