Hello, Amber users
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..
I need your help..
Thank you~
블로그서명jeonsunny님의 블로그
안녕하세요.
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Received on Mon Aug 18 2014 - 23:30:02 PDT
