difference between read card and read form

Posted by: jamesmao

difference between read card and read form - 05/31/19 08:22 PM

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.
Posted by: rmv

Re: difference between read card and read form - 06/03/19 01:52 PM

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
Posted by: lennart

Re: difference between read card and read form - 06/03/19 02:25 PM

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.
Posted by: jamesmao

Re: difference between read card and read form - 06/04/19 04:53 PM

Thank you all very much.