SETVEL, incorrect number of arguments?

From: Giovanni Fossati <>
Date: Mon 16 Sep 2002 17:43:30 -0500 (CDT)

                                              Monday September 16, 2002
Dear Amber users and developers,
while compiling on IBM-AIX, I have just noticed a possible error in
sander_classic/sander.f (amber6). There are two calls to SETVEL, and the
second calls it with one too many argument.
These are the definition and the calls.

     + TEMPI,HEAT,DT,INIT,IG,iscale,scalm)

         CALL SETVEL( NRP,NR,NTU,NTX,X(L30),X(L40),X(L35),X(L20),
     + TEMPI,HEAT,DT,INIT,IG,iscale,scalm)

     * CALL SETVEL(NPM,NRP,NR,NTU,NTX,X(L30),X(L40),X(L35),X(L20),
     * TEMPI,HEAT,DT,INIT,IG,iscale,scalm)

The second call is at the point where the code says:

C Assign a new set of random velocities for the new coordinate set if
C we're doing MD (IMIN=0).

and it is preceded by: IF (IMIN.EQ.0)

Is that call an "error"? (it seems so to me).
How bad is it?

Thank you very much.
All the best,

Received on Mon Sep 16 2002 - 15:43:30 PDT
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