[gmx-users] PRODRG topology server problem!

pqchen at eyou.com pqchen at eyou.com
Mon Sep 23 03:53:41 CEST 2002


Dear all:
  I am a student of Nankai University in China!
  Recently I want to use gromacs program to study calix[4]pyrrole molecule!But
when I use the PRODRG topology server to generate the .top file,there is a
error ocur!The program file can't add the exatly hydrogens to my molecule!In
the gromacs .top file,there is none of the hydrogens.And my molecule + added
hydrogens
show that the hydrogens on the Nitron is absent.Can somebody can help me!
  BTW:Can gromacs program use other solvents except the water solvent?
                                                             sincerely yours

                                                             Chen PeiQuan





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