报错Error in user input: Invalid command-line options In command-line option -rainbow Invalid value: yellow In command-line option -rainbow Invalid value: -1 In command-line option -rainbow Invalid value: 2 For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them.
时间: 2023-08-15 11:50:06 浏览: 406
很抱歉,我的之前的回答有误。正确的命令应该是:
gmx xpm2ps -f dssp.xpm -o secondary-structure.eps -rainbow blue yellow -nxy -1 2 -title none -di 1.m2p
其中,-nxy参数用来设置只显示XPM文件中的特定数值,-1和2分别对应alpha-helix和beta-sheet;-rainbow参数用来设置颜色映射,blue表示alpha-helix的颜色,yellow表示beta-sheet的颜色。其他参数保持不变。
再次抱歉之前的回答有误,希望这次能够帮到您。
阅读全文