AMBER Archive (2008)

Subject: AMBER: error while running REMD in amber9

From: priya priya (priyaanand_27_at_yahoo.co.in)
Date: Wed Sep 24 2008 - 12:53:09 CDT

Dear All, I am running REMD for a peptide system, but after running for 70ns it is showing some errors, I am not able to make out what is going wrong from the error shown below. forrtl: severe (24): end-of-file during read, unit 9, file /direct/home/test/artic_rem_90ns.out.rep10 Image PC Routine Line Source sander.MPI 000000000081CDA3 Unknown Unknown Unknown sander.MPI 000000000081B282 Unknown Unknown Unknown sander.MPI 00000000007F06AA Unknown Unknown Unknown sander.MPI 00000000007AFE22 Unknown Unknown Unknown sander.MPI 00000000007AFA83 Unknown Unknown Unknown sander.MPI 00000000007C9326 Unknown Unknown Unknown sander.MPI 00000000004FCF00 Unknown Unknown Unknown sander.MPI 00000000004B7C60 Unknown Unknown Unknown sander.MPI 00000000004B3A8E Unknown Unknown Unknown sander.MPI 000000000040436A Unknown Unknown Unknown libc.so.6 00002B79AF707154 Unknown Unknown Unknown sander.MPI 00000000004042A9 Unknown Unknown Unknown My input file is as below: &cntrl imin = 0, nstlim=100, dt=0.002,gbsa =1,surften=0.005, ntx = 5, tempi =325.7, temp0 =325.7, ntt = 3, tol = 0.0000001, ntc = 2, ntf = 2, ntb =0, ntwx = 100, ntwe = 500, ntwr = 100, ntpr = 100, cut =15.0, scee = 1.2, ibelly =0, ntr = 0, gamma_ln = 5.0,offset = 0.09 nscm = 500, igb = 1, irest = 1,numexchg = 150000, repcrd = 0,ntave = 0, / Please suggest Regards Priya Unlimited freedom, unlimited storage. Get it now, on http://help.yahoo.com/l/in/yahoo/mail/yahoomail/tools/tools-08.html/
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