Dear Mark,
The problem persist:
cat << EOF > ${JOB}_std${j}.in
equil_md
&cntrl
nmropt = 1, ntx = 5, irest = 1, ntrx = 1,
ntxo = 1, ntr = 1,
ntpr = 1000, ntwx =1000,
ntf = 2, ntb = 2, dielc = 1.0, ntc=2,
cut = 12, nsnb = 10,
imin = 0,
nstlim = 10000, dt = 0.002,
temp0 = 300, tempi = 300,
ntt = 1,
ntp = 1,
&end
&wt type='END'
&end
DISANG= rst_st${j}.dat
LISTOUT= rst_st${j}.lis
PHOSPHOROUS RESTRAIN
20.0
FIND
P1 * * *
SEARCH
RES 190
END
END
EOF
Is it a problem in the columns?
On Fri, 19 Aug 2011 11:16:34 +0100, Mark Williamson wrote:
> Fernando Martín García wrote:
>> Dear amber users:
>>
>> I've tried all possibilities i've found in amber reflector but i
>> haven't found where is the problem in my input:
>>
>> cat << EOF > ${JOB}_std${j}.in
>> equil_md
>> &cntrl
>> nmropt = 1, ntx = 5, irest = 1, ntrx = 1,
>> ntxo = 1, ntr = 1,
>> ntpr = 1000, ntwx =1000,
>> ntf = 2, ntb = 2, dielc = 1.0, ntc=2,
>> cut = 12, nsnb = 10,
>> imin = 0,
>> nstlim = 10000, dt = 0.002,
>> temp0 = 300, tempi = 300,
>> ntt = 1,
>> ntp = 1,
>> &end
>> &wt type='END'
>> &end
>> DISANG= rst_std1.dat
>> LISTOUT= rst_std1.lis
>> PHOSPHOROUS RESTRAIN
>> 20.0
>> FIND
>> P1 * * *
>> SEARCH
>> RES 190
>> END
>> END
>> EOF
>
> Dear Fernando,
>
> I think this is a scripting issue. Attempting to reproduce this
> problem
> here, suggests that the EOF token needs start at the beginning of the
> line within your script, i.e. :
>
> ...blah...
> RES 190
> END
> END
> EOF
>
> Regards,
>
> Mark
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
==============================================
FERNANDO MARTIN GARCIA
GRUPO DE MODELADO MOLECULAR - LAB 312.1
CENTRO DE BIOLOGíA MOLECULAR SEVERO OCHOA
C/ NICOLáS CABRERA, 1.
CAMPUS UAM. CANTOBLANCO, 28049 MADRID. SPAIN.
TEL: (+34) 91-196-4662 FAX: (+34) 91-196-4420
==============================================
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Received on Fri Aug 19 2011 - 04:00:02 PDT
