Hi,
i tried to replace
%FLAG CTITLE
to
%FLAG TITLE
but it gave this:
| New format PARM file being parsed.
| Version = 1.000 Date = 06/11/03 Time = 12:02:08
At line 249 of file _ambpdb.f90 (unit = 10, file = '1.prmtop')
Fortran runtime error: Expected REAL for item 2 in formatted transfer, got
INTEGER
(5e16.8)
^
i then added %FLAG TITLE before %FLAG CTITLE, it gave the same error
message as well.
pls assists.
Thanks and regards,
colvin
On Wed, Mar 2, 2011 at 11:51 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> > ERROR: Flag "TITLE" not found in PARM file
> > any workaround for this?
>
> Maybe add a title in the prmtop using a text editor and deductive
> skills. Other missing flags might be more problematic to simulate,
> but title should be easy.
>
> Bill
>
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Received on Tue Mar 01 2011 - 20:00:05 PST
