AMBER Archive (2008)

Subject: AMBER: Prepgen does not give correct result?

From: Rajendra P. OJHA (rp_ojha_at_yahoo.com)
Date: Fri May 09 2008 - 11:13:58 CDT

Dear User,
      Prepgen does not give correct result. It does
not show the correct charges on the molecules using
the mainchain.dat.
      Several other worker has also faced the same
problem, As it is mentioned in the FOQ.
      Have any one rectified the problem to calculate
the correct charges at the atomic centers of the
molecule.
     Thanks,
     Ojha

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