Thanks for the email. We are using AmberTools17.
The line 244 of $AMBERHOME/AmberTools/src/sander/rdparm.F90
is reading iscratch and ffdesc. I don’t know what that section is for.
Here is the code:
230 ! format should be (nlines, text) where we read the first lines
nlines
231 ! to know how many more lines to read - we ignore nlines on
subsequent
232 ! lines but they still need to be there.
233 ! e.g.
234 ! 2 PARM99
235 ! 2 GAFF
236 read(nf,fmt) nlines,line
237 allocate (ffdesc(nlines), stat = ierr)
238 REQUIRE(ierr==0)
239 ffdesc(1) = line
240 #ifndef API
241 write(6,'(a,a)') '| ',ffdesc(1)
242 #endif
243 do i = 2, nlines
244 read(nf,fmt) iscratch,ffdesc(i)
245 #ifndef API
246 write(6,'(a,a)') '| ',ffdesc(i)
247 #endif
248 end do
On Wed, Apr 11, 2018 at 5:15 AM, David A Case <david.case.rutgers.edu>
wrote:
> On Tue, Apr 10, 2018, Portillo, Jennifer wrote:
> >
> > At line 244 of file rdparm.F90 (unit = 8, file = 'protein.prmtop')
>
> Can you look at line 244 of $AMBERHOME/AmberTools/src/sander/rdparm.F90,
> and see what section of the prmtop file is being read? (I don't know
> what version of AmberTools you have, so cannot be sure where to look
> myself.)
>
> Once you know which section of the prmtop file is being read, you can
> look to see if there is something odd about your file in that section.
>
> ...good luck....dac
>
>
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Received on Mon Apr 16 2018 - 14:30:02 PDT
