[gmx-users] Help!!!!!

Tanos tccf at taurus.ime.eb.br
Tue Oct 15 15:03:03 CEST 2002

  Dear Users, 
  I am a phD student trying to use GROMACS to minimize a large protein 
structure. I have already arrived the emtol of 418 Kj/mol.nm with steepest 
descent and I would like to continue the minimization with cg using the 
final structure of the previous calculation as starting point. I have noted 
that if I simply use grompp, GROMACS will ignore the previous results and 
start from the non minimized struture. 
  How should I proceed to make this work ? Is there in GROMACS any program 
that does it ? All I want is to do a minimization starting with the results 
of a previous one. Could someone help me ?
  Best whises, 
  Tanos Celmar Costa Franca 
  phD student 

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