Dear all,
I am currently using GIBBS to determine free energy. However, my job
stopped after 1024ps (lambda=0.15, ipol=1) and I don't know why because
I did not receive any error message. I have never had this problem.
So, I'm trying to convert gibcrd in an restrt file. I used CARNAL to do
it but when I try to run GIBBS I receive the error message:
forrtl: severe (24): end-of-file during read, unit 9, file
/scra22/users/olga/amber6/etilmaltol/etil101/gibbs/carnal_restrt
Could anyone, please, tell me what did I do wrong?
My CARNAL input file is
#gibcrd -> restrt
FILES_IN
PARM p1 pert_etil10_opt.top;
STREAM s1 etil10_opt.gibcrd;
FILES_OUT
COORD c1 carnal_restrt RST;
DECLARE
OUTPUT
COORD c1 s1 ;
END
Thanks,
Olga Carvalho
************************************************************************
Olga Manuela Oliveira Nunes de Carvalho e-mail: oocarval_at_fc.up.pt
Departamento de Quimica
Faculdade de Ciencias, Universidade do Porto
Rua do Campo Alegre, 687
4169-007 PORTO
************************************************************************
Received on Mon Jul 02 2001 - 05:21:00 PDT
