[gmx-users] how to create a box for bilayer
nanyu101
nanyu101 at sina.com
Sun Feb 16 03:00:03 CET 2003
Dear gmx-users,
Would you please tell how to generate a box for bilayer that water can just on z axis direction. I can't fix that and when I run EM,the water molecule run into the gap of bilayer and protein.
So when I run md,the system told me that Warning: Only triclinic boxes with the first vector parallel to the x-axis and the second vector in the xy-plane are supported.
Box (3x3):
Box[ 0]={ nan, nan, nan}
Box[ 1]={ nan, nan, nan}
Box[ 2]={ nan, nan, nan}
Can not fix pbc.
Any comments is recommended.Thanks.
Best wishes,
Xianhui Wu
______________________________________
===================================================================
ÊÖ»ú¶ÌÐÅ·¢ËÍmµ½888810£¬Ãâ·Ñ»ñµÃÐÂÀË15MÈÎÄãÓÊÓÊÏ䣡 (http://vip.sina.com/love_send/lover.html)
ÊÖ»úÓïÒôÁÄÌì¹úÄÚ³¤Í¾5·ÖÖÓ/1Ôª¡¢Ë§¸çÃÀÅ®ö¦ÕÕ¾¡ÔÚ°®Çé¿ìµÝ (http://love.sina.com.cn)
·¢°ÝÄê¶ÌÐÅ ËÍÍòǧף¸£ Ӯ˫È˸۰ÄÓδ󽱣¡ (http://sms.sina.com.cn/act/spring2003.html)
More information about the gromacs.org_gmx-users
mailing list