Dear David
Thank you for your reply. My procedure is list below:
1, $AMBERHOME/exe/xleap -s -f leaprc.ff02EP
2, verbosity = 2
3, logfile = xxxx.log
4, loadoff = TIP4P.lib
5, xxxx = loadpdb xxxxx.pdb
6, charge xxxx
7, solvatebox xxxx TIP4PBOX 12
8, addions xxxx Cl- 1
9, check xxxx
then the xleap will list a lot of "warings" and "couldn't find the
potential of EP and OW"
10, saveamberparmpol xxxx xxxx.top xxxx.crd
the xleap will list a lot of "warings" and "couldn't find the potential
of EP and OW" again
11, quit
then I found that the xxxx.top is a empty file.
So, I tried again and replace the all TIP4P with POL3. then everything is
smooth.
I'll follow your advice and do it again.
thank you
Yuming
_________________________________________________________________
The new MSN 8: smart spam protection and 2 months FREE*
http://join.msn.com/?page=features/junkmail
Received on Wed May 14 2003 - 11:53:01 PDT
