Hi,
You might be interested in using R.E.D. Server Dev. at:
http://q4md-forcefieldtools.org/REDServer-Development/
see
http://q4md-forcefieldtools.org/REDServer-Development/news.php
http://q4md-forcefieldtools.org/REDServer-Development/Documentation/
http://q4md-forcefieldtools.org/REDServer-Development/faq.php
tutorial : http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php
the resp version we use: http://q4md-forcefieldtools.org/RED/resp/
regards, Francois
> I have problems when I was working on antechamber in amber10,
>
> antechamber -i dA-BPQ-A.out -fi gout -o dA-BPQ-A.prep -fo prepi -c resp
>
> Error message is like this
>
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[41],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[42],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[43],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[44],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[46],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[41],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[42],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[43],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[44],extend the size and reallocate the memory automatically
> Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for
> atom[46],extend the size and reallocate the memory automatically
> "resp.f", line 359: 1525-090 The NAMELIST READ statement cannot be
> completed because an incorrect character was encountered in a
> NAMELIST group name or item name. The program will recover by
> discontinuing further processing of the READ statement.
> Unit 10 Error on OPEN: ANTECHAMBER.ESP
> "resp.f", line 2282: 1525-093 The CLOSE statement cannot be
> processed because the CLOSE statement is not allowed on unit 0,
> which is connected to standard error. The program will recover by
> ignoring the CLOSE statement.
> "resp.f", line 359: 1525-090 The NAMELIST READ statement cannot be
> completed because an incorrect character was encountered in a
> NAMELIST group name or item name. The program will recover by
> discontinuing further processing of the READ statement.
> Unit 3 Error on OPEN: qout
> "resp.f", line 2282: 1525-093 The CLOSE statement cannot be
> processed because the CLOSE statement is not allowed on unit 0,
> which is connected to standard error. The program will recover by
> ignoring the CLOSE statement.
> Cannot open charge file to read: QOUT , exit
>
> I have no idea what I have to do..
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Received on Tue Aug 19 2014 - 05:00:02 PDT
