HI,
There must be a space after the comment line (first line).
Attached the modified frcmod file, check if this works
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: Eugene Cha <eugenekhcha.gmail.com>
Sent: 23 October 2017 12:11
To: amber.ambermd.org
Subject: [AMBER] difficulty reading a frcmod file in amber
When loading my frcmod file
I get a
Reading title:
vffdt
Unknown keyword:
in parameter file. Perhaps a format error?
Unknown keyword:
in parameter file. Perhaps a format error?
i've looked at a dozen frcmod miles on amber/dat/leap/parm
and I can't for the life of me figure out what the format error is.
Would anybody willing to take a look?
i took a look at the amber frcmod file format page and I don't understand
what these symbols mean
- 2 - ***** INPUT FOR ATOM SYMBOLS AND MASSES *****
KNDSYM , AMASS, ATPOL
FORMAT(A2,2X,F10.2x,f10.2)
KNDSYM The unique atom symbol used in the system.
AMASS Atomic mass of the center having the symbol "KNDSYM".
ATPOL The atomic polarizability for each atom (in A**3)
This is the type of polarizability used in sander
and gibbs. No parameters are supplied for this since
the feature is still in development (Amber 4.1).
NOTE: All the unique atomic symbols and their masses must
be read. The input is terminated by a blank card.
How do I read FORMAT(A2,2X,F10.2x,f10.2)? What does it mean the input is
terminated by a blank card?
Thanks
Eugene
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Received on Mon Oct 23 2017 - 02:30:01 PDT
