Having problem with restarting colvar distance,

From: Aliasghar Alizadeh-Mojarad (ali.alizadehmoj_at_gmail.com)
Date: Fri Dec 29 2017 - 02:10:07 CST

Dear All,
I encountered an error when restarting my simulation including restraining
the COM of group of atoms by using colvar. NAMD works fine with colvar but
when I restart the run I get a bunch of -nan -nan which I see if my
simulation is bogus. I have the following lines in my NAMD conf file to
restart the colvar.

colvars on
incr RunNo -1
colvarsConfig $colvinp
colvarsInput r${RunNo}.colvars.state
The colvinp is :
colvarsTrajFrequency 100
colvarsTrajAppend off
analysis off
colvar {
  name system
  distance {
    group1 {
      atomsFile constrain-colvar.pdb

        atomsCol B
        atomsColValue 1.0
    group2 {
      dummyAtom (0, 0, 0)
harmonic {
  colvars system
  centers 0.0
  forceConstant 2.0

I found a kind of similar error which was reported last year. I am using
the last version of NAMD which is super fast. I would be pleased if anybody
can help me to find out what is the problem.

Best wishes,

Aliasghar Alizadeh-Mojarad

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