[AMBER] error in MD simulation

From: kureeckal ramesh <kureeckalramesh.yahoo.co.in>
Date: Thu, 1 Dec 2011 09:12:29 +0530 (IST)

Dear AMBER user I am running my protein sample for MD simulation (solvent effect) for 10 ns (on SGI altix UV 10) . Was able to complete sucessfully heating stage. While running the producition stage, the program was able to complete only the first stage (500 ps) and thereafter it was not able to progress. The error showed is as follows: ------------------------------------------------------------------------------------------------------------------------------------------------------------------------ramesh.sgiUV:~> ./PROD.sh forrtl: severe (64): input conversion error, unit 9, file /home/ramesh/equil1.rst Image              PC                Routine            Line        Source              sander             0000000000C0BF9D  Unknown               Unknown  Unknown sander             0000000000C0AAA5  Unknown               Unknown  Unknown sander             0000000000BA3D49  Unknown               Unknown  Unknown sander             0000000000B3D30A  Unknown               Unknown  Unknown sander             0000000000B3CB00  Unknown               Unknown  Unknown sander             0000000000B676DB  Unknown               Unknown  Unknown sander             00000000004E9835  Unknown               Unknown  Unknown sander             00000000004ABDED  Unknown               Unknown  Unknown sander             00000000004AA85C  Unknown               Unknown  Unknown sander             00000000004051CC  Unknown               Unknown  Unknown libc.so.6          00002B249A274BC6  Unknown               Unknown  Unknown sander             00000000004050C9  Unknown               Unknown  Unknown gzip: equil2.mdcrd: No such file or directory   Unit   30 Error on OPEN: equil2.rst                                                                                                                                                                                                                                                       gzip: equil3.mdcrd: No such file or directory   Unit   30 Error on OPEN: equil3.rst                ........ ........  Unit   30 Error on OPEN: equil19.rst                                                                                                                                                                                                                                                     gzip: equil20.mdcrd: No such file or directory DONE ------------------------------------------------------------------------------------------------------------------------------ To me it appears some thing wrong in equil1.rst file, which I am not able to figure it out. I am attaching the equil1.rst file I used for simulation request you to kindly suggest solution to my problem Thanking you Ramesh K V

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Received on Wed Nov 30 2011 - 20:00:02 PST
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