Dear Sir/Madam,
I am trying to run a minization for a protein with explicit water and Na+
ion added as specified in tutorial one.
It is the modified min.in file
inital minimisation whole system (polyAT wat min2.in Tutorial 2)
&cntrl
imin = 1,
maxcyc = 2000,
ntmin = 2,
cut = 9,
ntb = 1
/
However, every time I run this job, it clash with the following error
message:
[PATH]$ $AMBERHOME/exe/sander -O -i min_is.in -o tpj_ionTIP3_minis.out -p
tpj_ionTIP3.prmtop -c tpj_ionTIP3.inpcrd -r
tpj_ionTIP3_minis.crd &
[1] 5409
forrtl: severe (64): input conversion error, unit -5, file Internal
Formatted Read
Image PC Routine Line Source
sander 081A1094 Unknown Unknown Unknown
sander 0819F82D Unknown Unknown Unknown
sander 081747D6 Unknown Unknown Unknown
sander 0813F4EA Unknown Unknown Unknown
sander 0814E55F Unknown Unknown Unknown
sander 0814D86F Unknown Unknown Unknown
sander 080D3982 Unknown Unknown Unknown
sander 080D36B7 Unknown Unknown Unknown
sander 080A6A3B Unknown Unknown Unknown
sander 08073B74 Unknown Unknown Unknown
sander 08073886 Unknown Unknown Unknown
sander 0804A162 Unknown Unknown Unknown
libc.so.6 42015574 Unknown Unknown Unknown
sander 0804A091 Unknown Unknown Unknown
What does this error message means? What can I do to solve this problem?
Please kindly help.
Many thanks in advanced and best regards,
Aaa
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Received on Tue Jun 27 2006 - 09:53:47 PDT
