On Tue, Nov 06, 2012, Yulin Huang wrote:
> Thanks everyone for the help. I tried many methods, but I realize I have
> to have prep files in the same order for TI. Even I built the mol2, pdb
> files with the same order for corresponding atoms, I still have different
> prep files which cause the problem. Does anyone has the experience of
> mapping one prep file to the other one with the same atoms in the order?
Don't use prep files(?) I would love to finally retire this format. Does the
same problem appear if you use mol2 instead?
...dac
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Received on Tue Nov 06 2012 - 12:30:02 PST
