[gmx-users] about make_hole
nanyu101 at sina.com
Thu Nov 28 01:25:17 CET 2002
I am a novice in Gromacs.To me,my project is the most difficult work.Maybe you will agree that Gromacs is not very friendly.
There are some questions about make_hole in lipid bilayer.The coordinates of POPC was downloaded from Tieleman's web.And I think you have had make_hole program from Groamcs contribution.
This morning I tried to run make_hole.pl to make home in POPC.I have encountered grompp -f run.mdp -s insert.tpr -c outbilayer.pdb -r outbilayer.pdb -p ...,the system told me that -s is an unknown argument.The double "outbilayer" confused me,too.So,I tried to change it as below.
grompp -f run.mdp -c insert.tpr -r outbilayer.pdb -p popc.top -p popc.tpr
But the system told me the coordinates of tpr file didn't match the coordinate of top file.And it told me topology file is zero.My information of topology is below:
[ system ]
popc + h2o
[ molecules ]
; name number
Could you give me some advices.Thanks for your kind assistant.I am looking forward to your response.
Ãâ·ÑÊÔÓÃÐÂÀË15MÊÕ·ÑÓÊÏä ¸Ï½ôÐÐ¶¯£¡ (http://vip.sina.com/sol_mail/promotion/pro_men.html)
More information about the gromacs.org_gmx-users