使用antechamber处理环糊精的一个问题

chaoke

各位大侠，我自用antechamber产生mol2文件时，命令为：antechamber -i CD.gout -fi gout -o CD.mol2 -fo mol2 -c resp，可出现如下画面：

Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for atom[122],extend the size and reallocate the memory automatically
Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for atom[123],extend the size and reallocate the memory automatically
Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for atom[124],extend the size and reallocate the memory automatically
Info: the number of the path atoms exceeds MAXPATHATOMNUM(10000) for atom[125],extend the size and reallocate the memory automatically


  Unit   10 Error on OPEN: ANTECHAMBER.ESP
这是什么意思？

川大-灰太狼

原子太多，超过了10000个。