[gmx-users] Problem???!!?

Miguel Machuqueiro machuque at itqb.unl.pt
Fri Apr 30 15:13:00 CEST 2004

At 13:38 30-04-2004, you wrote:
>Hi all.
>I am doing a simulation on a cyclic peptide, with unusual a.a's. They are 
>included in the *.rtp file, and in aminoacids.dat a.s.o (...)

Did you update the total number of entries (first line) in the file 
aminoacids.dat??? I had the exact problem when I forgot to do so.

Miguel Machuqueiro
ITQB-Instituto de Tecnologia Química e Biológica
     Universidade Nova de Lisboa
Molecular Simulation Group - 6º Floor (Room 601)
Av. da República, EAN, Apartado 127
2781-901 Oeiras, Portugal
Tel. : +351 214469618 /Mobile: +351 96 7562285
E-mail1: machuque at itqb.unl.pt
E-mail2: miguel.machuqueiro at ioc.unibe.ch
E-mail3: masm at fc.ul.pt

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