Re: [gmx-users] problem with fullerene simulations

Oh sorry, i used spc.itp now and it works. Thanks. Srinivas. On Fri, Jul 22, 2011 at 5:48 PM, Justin A. Lemkul wrote: > > > jampani srinivas wrote: > >> Hi Justin, >> >> Thanks for your reply, i have no particular choice i was using it for my >> other work and just started with it. >> >> Now i

Re: [gmx-users] problem with fullerene simulations

jampani srinivas wrote: Hi Justin, Thanks for your reply, i have no particular choice i was using it for my other work and just started with it. Now i tried it again with spc model, I still get the following error. ++ Program grompp, VERSION 4.5.

Re: [gmx-users] problem with fullerene simulations

Hi Justin, Thanks for your reply, i have no particular choice i was using it for my other work and just started with it. Now i tried it again with spc model, I still get the following error. ++ Program grompp, VERSION 4.5.4 Source code file: toppush.c,

Re: [gmx-users] problem with fullerene simulations

jampani srinivas wrote: Hi Gromacs users, I am trying to run a fullerene simulaton in TIP4P water model, i am using the "c70_G53a6.itp " file downloaded from http://tfy.tkk.fi/soft/downloads/. i have added TIP4P water model using genbo

[gmx-users] problem with fullerene simulations

Hi Gromacs users, I am trying to run a fullerene simulaton in TIP4P water model, i am using the "c70_G53a6.itp " file downloaded from http://tfy.tkk.fi/soft/downloads/. i have added TIP4P water model using genbox command, later when i am tryin