[gmx-users] Re: .GRO and .TOP files editing

2007-03-06 Thread Luke Pestl
Alternatively, you could define your monomers in the relevant ff???.rtp file so that pdb2gmx can build the polymer from residues. You can use PRODRG to give you an idea of what charges you should assign to the atoms. See section 5.5 of the manual for more information. Luke Message: 2 Date:

[gmx-users] Large branched and crosslinked polymer

2007-02-08 Thread Luke Pestl
cannot find the n2t library files that it requires (am I supposed to make these files, or should they have been in the package somewhere?). Any suggestions as to how I should proceed would be greatly appreciated. Luke Pestl ___ gmx-users mailing

[gmx-users] x2top, missing ffG43a1.n2t

2007-01-29 Thread Luke Pestl
Hi, I am trying to use x2top but I do not have the n2t library files. Where could I get the file ffG43a1.n2t, and the n2t files for other force fields if I need them? I am using version 3.3.1. Thank you in advance, Luke ___ gmx-users mailing list