Problem with mdenergy

Date: Fri Jun 17 2005 - 08:05:41 CDT

Hello all,

I would like to use the mdenergy tcl script to calculate the interaction energy
of two molecules during MD. It seems that the script is working well with the
parameter file par_all22_prot.inp from CHARMM but not with a PROT/DNA mixed
parameter file : par_all27_prot_na.prm for example.The error message is this
one :

mdenergy -vdw -sel $sell -ofile "energyout.dat" -beg 0 -end last -switch 10
-cutoff 12 -self
vmd > Multiple dihedral with multiplicity of 5 greater than max of 4

Does anyother person have encoutered this problem ? If yes ...
Thank you in advance for your help.


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