[AMBER] Problem with ampdb and ptraj

From: Andrianopsyah Mas Jaya Putra <bursariset.gmail.com>
Date: Tue, 14 Feb 2012 12:33:38 +0700

Dear colleagues,

I am an AMBER 11 user from Indonesia. Recently, I followed an AMBER
tutorial on this page:

http://ambermd.org/tutorials/advanced/tutorial8/loop11.htm

However, when I tried to convert the crd file into a PDB one, I got
this message:

| New format PARM file being parsed.
| Version = 1.000 Date = 02/13/12 Time = 11:47:40
At line 880 of file _ambpdb.f90
Fortran runtime error: Bad value during integer read

So, I did not get the PDB.

Another thing:
The values in my "xxx.out" file generated from ptraj is different from
the "Time vs RMSD" graph on the corresponding page.

Can anyone help me? Thank you very much.

Kind regards,

Andrianopsyah
--------------------------------------------------------
Department of Pharmacy
Faculty of Mathematics & Sciences
University of Indonesia (UI)
Depok 16424, INDONESIA

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Received on Mon Feb 13 2012 - 22:00:02 PST
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