subject:"\[gmx\-users\] Multiple nrexcl commands in GROMACS"

Re: [gmx-users] Multiple nrexcl commands in GROMACS

2010-08-31 Thread David van der Spoel

On 2010-08-31 16.23, WJ Evans wrote: > Hello, > We are trying to create a model of a carbon nanotube with simple > carbon-like chains attached around the entrance and exit of the > nanotube. The problem is we need nrexcl set to 3 in nanotube but wnat > nrexcl=1 in the chains. We have searched th

[gmx-users] Multiple nrexcl commands in GROMACS

2010-08-31 Thread WJ Evans

Hello, We are trying to create a model of a carbon nanotube with simple carbon-like chains attached around the entrance and exit of the nanotube. The problem is we need nrexcl set to 3 in nanotube but wnat nrexcl=1 in the chains. We have searched the GROMACS manual and user list extensively and