Huayue Li <lihua...@naver.com> writes: > I have got a problem on building the N-terminal pyroglutamic acid > (PCA). > > > I'm afraid I have successfully defined *.top, *.param and *.link files > of PCA; and also successfully output *.mtf and *.pdb files. > > Everything seems right! I can not find any problem within these files. > > However, when the <annealing.inp> executed, it did not output *.pdb > files. > > What is the problem? I will attach corresponding files together. >
It just seems to fail mid‐job! Are you sure it’s nothing trivial, like disk space? -- Ian ◎
