[gmx-users] 2D simulation of 1 particle in arbitrary analytical potential

to be used in such occasion? The reason for use of gromacs is that he would like to use other internal GROMACS routines for free energy calculations. -- Zdraví skoro zdravý Karel Krápník Berka RNDr. Karel Berka, Ph.D. Palacký University

Re: [gmx-users] Force-field files location and order of reading in Gromacs 4.5.2

Karel Berka wrote: Hi all, I have detected that preference in reading forcefield files in Gromacs 4.5 has probably been changed from Gromacs 4.0.x and older. In older gromacs, when there was forcefield with modification present in my working directory, then it was read

[gmx-users] Force-field files location and order of reading in Gromacs 4.5.2

of these modifications are rather messy. -- Zdraví skoro zdravý Karel Krápník Berka RNDr. Karel Berka, Ph.D. Palacký University in Olomouc Faculty of Science Department of Physical Chemistry tř. 17. listopadu 1192/12 771 46 Olomouc tel: +420

[gmx-users] Gromacs 4.5-beta2 forcefield troubles

- OpenMM does not support (some) of the provided interaction type(s) (Improper Dih.) is there any force field which can be used? -- Zdraví skoro zdravý Karel Krápník Berka RNDr. Karel Berka, Ph.D. Palacký University in Olomouc Faculty

[gmx-users] Invitation to connect on LinkedIn

LinkedIn Karel Berka requested to add you as a connection on LinkedIn: -- Chinmay, I'd like to add you to my professional network on LinkedIn. - Karel Accept invitation from Karel Berka http://www.linkedin.com/e