AMBER Archive (2002)

Subject: "crd" file created with VMD

From: Soonmin Jang (sjang_at_protege.snu.ac.kr)
Date: Tue Jul 23 2002 - 11:23:56 CDT

Hi,

I was trying to do local energy minimization with
"crd" file created with VMD (1.7).

It seems the "sander" doesn't recognize crd file created with VMD.
I got following error message.

cqd1[vii] 1> sander -O -i min.in -p vii.parm -c a.crd
? FORTRAN Runtime Error:
? Illegal character in numeric input
? READ(UNIT=INTERNAL,...
cqd1[vii] 1> vi a.crd
cqd1[vii] 1> more min.in
 &cntrl
    maxcyc=10000, imin=1, cut=500.0, igb=1, ntb=0, ntpr=200,
 &end

cqd1[vii] 1>

a.crd is crd file created with VMD.
Any suugestions ?
Thank you.

Soonmin