On Wed, Sep 01, 2004, Sichun Yang wrote:
>
> Just follow up, I found it seems that sander in amber8 doesn't like the
> parm file since I am using the old format of prmtop.
This should not cause a problem: sander should correctly read any "new" or
"old" format prmtop file (which is correctly created). You may have to do
some experimentation to find the required value of lastrst, but there is
something unual about your system, since it is very rare that the values
set up by the program are not sufficient. We will probably have to actually
get your input files to track down what is going on.
....dac
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Received on Thu Sep 02 2004 - 01:15:13 PDT
