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difference between read card and read form
#37518 06/01/19 12:22 AM
Joined: Dec 2018
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J
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Hi, can anyone explain to me what is the difference?

I tried to read coor from a restart file, and
this works:
Code:
read coor dynr curr form name xxx.rst


but this fails:
Code:
read coor dynr curr card name xxx.rst


Thanks.

Re: difference between read card and read form
jamesmao #37522 06/03/19 05:52 PM
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While CARD and FORMatted are equivalent keywords in an OPEN statement, for a READ COOR statement, CARD conflicts with DYNR, as each represents a different file layout for a formatted file.

In fact, the command works fine as simply

read coor dynr curr name xxx.rst

and using the FORM keyword should give the message

**** Warning **** The following extraneous characters
were found while command processing in CHARMM
FORM


Rick Venable
computational chemist

Re: difference between read card and read form
jamesmao #37523 06/03/19 06:25 PM
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Having written the code for option DYNR (but not looked at in ages), I guess that the CARD option is parsed before DYNR. In io.doc DYNR is indeed specified as an alternative to CARD or FILE (and a number of other options>), and thus should not be used together with one of these.


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
Re: difference between read card and read form
jamesmao #37524 06/04/19 08:53 PM
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Thank you all very much.


Moderated by  John Legato, lennart 

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