AMBER Archive (2008)

Subject: AMBER: ambmask problem

From: Hopkins, Robert (hopkins_at_uhcl.edu)
Date: Wed Feb 13 2008 - 18:42:53 CST

Dear Amber Users,

 

In order to check whether I was understanding the "maskstr" selection
expressions, I tried running ambmask with several different compatible
pairs of prmtop and inpcrd files as input. However, in each case, I get
an error message similar to the following:

 

| New format PARM file being parsed.

| Version = 1.000 Date = 02/19/04 Time = 15:59:18

At line 253 of file _ambmask.f (Unit 10 "polyAT_cio.prmtop")

Traceback: not available, compile with -ftrace=frame or -ftrace=full

Fortran runtime error: Expected CHARACTER for item 1 in formatted
transfer, got INTEGER. If you want to make character descriptors
typeless, compile with -fsloppy-char

(20a4)

    ^

I checked that bugfix #7 had been applied to the source file ambmask.f
properly and it apparently had. However, in that source file I noticed
a statement that igraph, isymbl and lbres should be declared integer
instead of character (they are declared character in ambmask.f) in order
to be compatible with findmask ().

 

If you have any suggestions, or if I'm missing something, I would
appreciate any comments .

 

Thanks,

Bob Hopkins

   

 

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